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Harald O. Jeschke - Publications


Researcher ID: C-3507-2009

 Refereed publications 

     2017 
    _____________________________________
  1. D. Guterding, H. O. Jeschke
    An efficient GPU algorithm for tetrahedron-based Brillouin-zone integration
    submitted (preprint,pdf), (abstract).
    _____________________________________
  2. P. Schütz, D. V. Christensen, V. Borisov, F. Pfaff, P. Scheiderer, L. Dudy, M. Zapf, J. Gabel, Y. Z. Chen, N. Pryds, V. A. Rogalev, V. N. Strocov, C. Schlueter, T.-L. Lee, H. O. Jeschke, R. Valentí, M. Sing, R. Claessen
    Microscopic origin of the mobility enhancement at a spinel/perovskite oxide heterointerface revealed by photoemission spectroscopy
    Phys. Rev. B 96, 161409(RC) (2017) (doi,pdf,supplement), (abstract).
    _____________________________________
  3. J. Tapp, C. R. dela Cruz, M. Bratsch, N. E. Amuneke, L. Postulka, B. Wolf, M. Lang, H. O. Jeschke, R. Valentí, P. Lemmens, and A. Möller
    From magnetic order to spin-liquid ground states on the S=3/2 triangular lattice
    Phys. Rev. B 96, 064404 (2017) (doi,pdf,supplement), (abstract).
    _____________________________________
  4. D. Guterding, H. O. Jeschke, R. Valentí
    Basic electronic properties of iron selenide under variation of structural parameters
    Phys. Rev. B 96, 125107 (2017) (doi,pdf), (abstract).
    _____________________________________
  5. Y. Iqbal, T. Müller, K. Riedl, J. Reuther, S. Rachel, R. Valentí, M. J. P. Gingras, R. Thomale, H. O. Jeschke
    Signatures of a gearwheel quantum spin liquid in a spin-½ pyrochlore molybdate Heisenberg antiferromagnet
    submitted (preprint,pdf), (abstract).
    _____________________________________
  6. M. Kaliappan, H. O. Jeschke, R. Valentí
    Dynamics and fragmentation mechanism of (CH3-C5H5)Pt(CH3)3 on SiO2 Surfaces
    submitted (preprint,pdf), (abstract).
    _____________________________________
  7. M. Sing, H. O. Jeschke, F. Lechermann, R. Valentí, R. Claessen
    Influence of oxygen vacancies on two-dimensional electron systems at SrTiO3-based interfaces and surfaces
    Eur. Phys. J. Special Topics 226, 2457 (2017) (doi), (abstract).
    _____________________________________
  8. D. Guterding, H. O. Jeschke, I. I. Mazin, J. K. Glasbrenner, E. Bascones, R. Valentí
    Non-trivial role of interlayer cation states in iron-based superconductors
    Phys. Rev. Lett. 118, 017204 (2017) (doi,pdf,supplement), (abstract).
    _____________________________________
  9. A. J. Kim, H. O. Jeschke, P. Werner, R. Valentí
    J-freezing and Hund's rules in spin-orbit-coupled multiorbital Hubbard models
    Phys. Rev. Lett. 118, 086401 (2017) (doi,pdf,supplement), (abstract).
    _____________________________________
  10. Y. Li, S. M. Winter, H. O. Jeschke, R. Valentí
    Electronic excitations in γ-Li2IrO3
    Phys. Rev. B 95, 045129 (2017) (doi,pdf), (abstract).
    _____________________________________
  11. D. Guterding, S. Backes, M. Tomic, H. O. Jeschke, R. Valentí
    Ab-initio perspective on structural and electronic properties of iron-based superconductors
    Phys. Stat. Sol. B 254, 1600164 (2017) (doi,preprint,pdf), (abstract).
    _____________________________________
  12. M. Knöner, E. Gati, B. Wolf, M. de Souza, A. Haghighirad, M. Kuhnt, W. Assmus, H. O. Jeschke, M. Tomic, R. Valenti, M. Lang
    Combined experimental and theoretical studies of pressure effects in La2Sb
    Phys. Stat. Sol. B 254, 1600168 (2017) (doi), (abstract).
    _____________________________________
     2016 
    _____________________________________
  13. S. Backes, T. C. Rödel, F. Fortuna, E. Frantzeskakis, Le Fèbre, F. Bertran, M. Kobayashi, R. Yukawa, T. Mitsuhashi, M. Kitamura, K. Horiba, H. Kumigashira, R. Saint-Martin, A. Fouchet, B. Berini, Y. Dumont, A. J. Kim, F. Lechermann, H. O. Jeschke, M. J. Rozenberg, R. Valentí, A. Santander-Syro
    Hubbard band or oxygen vacancy states in the correlated electron metal SrVO3?
    Phys. Rev. B 94, 241110(R) (2016) (doi,pdf,supplement), (abstract).
    _____________________________________
  14. A. Chernenkaya, A. Morherr, S. Backes, W. Popp, S. Witt, X. Kozina, S. A. Nepijko, M. Bolte, K. Medjanik, G. Öhrwall, C. Krellner, M. Baumgarten, H. J. Elmers, G. Schönhense, H. O. Jeschke, R. Valentí
    Microscopic origin of the charge transfer in single crystals based on thiophene derivatives: A combined NEXAFS and density functional theory approach
    J. Chem. Phys. 145, 034702 (2016) (doi,preprint), (abstract).
    _____________________________________
  15. M. Souto, H.-B. Cui, M. Peña-Alvarez, V. García Baonza, H. O. Jeschke, M. Tomic, R. Valentí, D. Blasi, I. Ratera, C. Rovira, J. Veciana
    Pressure-Induced Conductivity in a Neutral Non-planar Spin-localized Radical
    J. Am. Chem. Soc. 138, 11517 (2016) (doi), (abstract).
    _____________________________________
  16. J. Zabaleta, V. S. Borisov, R. Wanke, H. O. Jeschke, S. C. Parks, B. Baum, A. Teker, T. Harada, K. Syassen, T. Kopp, N. Pavlenko, R. Valentí, J. Mannhart
    Hydrostatic pressure response of an oxide two-dimensional electron system
    Phys. Rev. B 93, 235117 (2016) (doi,pdf,supplement), (abstract).
    _____________________________________
  17. P. Puphal, D. Sheptyakov, N. van Well, L. Postulka, I. Heinmaa, F. Ritter, W. Assmus, B. Wolf, M. Lang, H. O. Jeschke, R. Valentí, R. Stern, Ch. Rüegg, C. Krellner
    Stabilization of the tetragonal structure in (Ba1−xSrx)CuSi2O6
    Phys. Rev. B 93, 174121 (2016) (doi,pdf), (abstract).
    _____________________________________
  18. H. Lee, H. O. Jeschke, R. Valentí
    Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model
    Phys. Rev. B 93, 224203 (2016) (doi,pdf), (abstract).
    _____________________________________
  19. D. Guterding, R. Valentí, H. O. Jeschke
    Reduction of magnetic interlayer coupling in barlowite through isoelectronic substitution
    Phys. Rev. B 94, 125136 (2016) (doi,pdf), (abstract).
    _____________________________________
  20. D. Guterding, M. Altmeyer, H. O. Jeschke, R. Valentí
    Near-degeneracy of extended s + dx2-y2 and dxy order parameters in quasi-two-dimensional organic superconductors
    Phys. Rev. B 94, 024515 (2016) (doi,pdf), (abstract).
    _____________________________________
  21. K. Riedl, D. Guterding, H. O. Jeschke, M. J. P. Gingras, R. Valentí
    Ab initio determination of spin Hamiltonians with anisotropic exchange interactions: the case of the pyrochlore ferromagnet Lu2V2O7
    Phys. Rev. B 94, 014410 (2016) (doi,pdf), (abstract).
    _____________________________________
  22. S. M. Winter, Y. Li, H. O. Jeschke, R. Valentí
    Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
    Phys. Rev. B 93, 214431 (2016) (doi,pdf), (abstract).
    _____________________________________
  23. M. Altmeyer, H. O. Jeschke, O. Hijano-Cubelos, C. Martins, F. Lechermann, K. Koepernik, A. Santander-Syro, M. J. Rozenberg, R. Valentí, M. Gabay
    Magnetism, spin texture and in-gap states: Atomic specialization at the surface of oxygen-deficient SrTiO3
    Phys. Rev. Lett. 116, 157203 (2016) (doi,pdf,supplement), (abstract).
    _____________________________________
  24. D. Guterding, H. O. Jeschke, R. Valentí
    Prospects for topologically non-trivial electronic and magnetic states in correlated kagome lattice materials
    Sci. Rep. 6, 25988 (2016) (doi,pdf,supplement), (abstract).
    _____________________________________
  25. D. Guterding, S. Diehl, M. Altmeyer, T. Methfessel, U. Tutsch, H. Schubert, M. Lang, J. Müller, M. Huth, H. O. Jeschke, R. Valentí, M. Jourdan, H.-J. Elmers
    Evidence for eight node mixed-symmetry superconductivity in a correlated organic metal
    Phys. Rev. Lett. 116, 237001 (2016) (doi,pdf,supplement), (abstract).
    _____________________________________
  26. F. Lechermann, H. O. Jeschke, A. Kim, S. Backes, R. Valentí
    Electron dichotomy on the SrTiO3 defect surface augmented by many-body effects
    Phys. Rev. B 93, 121103(R) (2016) (doi,pdf), (abstract).
    _____________________________________
     2015 
    _____________________________________
  27. Y. Iqbal, H. O. Jeschke, J. Reuther, R. Valentí, I. I. Mazin, M. Greiter, R. Thomale
    Paramagnetism in the Kagome compounds (Zn,Mg,Cd)Cu3(OH)6Cl2
    Phys. Rev. B 92, 220404(R) (2015) (doi,pdf,supplement), (abstract).
    _____________________________________
  28. S. Backes, H. O. Jeschke, R. Valentí
    Microscopic nature of correlations in multi-orbital AFe2As2 (A=K, Rb, Cs): Hund's coupling versus Coulomb repulsion
    Phys. Rev. B 92, 195128 (2015) (doi,pdf), (abstract).
    _____________________________________
  29. R. D. Johnson, S. Williams, A. A. Haghighirad, J. Singleton, V. Zapf, P. Manuel, I. I. Mazin, Y. Li, H. O. Jeschke, R. Valentí, R. Coldea
    The monoclinic crystal structure of α-RuCl3 and the zigzag antiferromagnetic ground state
    Phys. Rev. B 92, 235119 (2015) (doi,pdf), (abstract).
    _____________________________________
  30. E. A. Zvereva, M. I. Stratan, Y. A. Ovchenkov, V. B. Nalbandyan, J.-Y. Lin, E. L. Vavilova, M. F. Iakovleva, M. Abdel-Hafiez, A. V. Silhanek, X.-J. Chen, A. Stroppa, S. Picozzi, H. O. Jeschke, R. Valentí, and A. N. Vasiliev
    Zigzag antiferromagnetic quantum ground state in monoclinic honeycomb lattice antimonates A3Ni2SbO6 (A=Li, Na)
    Phys. Rev. B 92, 144401 (2015) (doi,pdf), (abstract).
    _____________________________________
  31. D. Guterding, R. Valentí, H. O. Jeschke
    Influence of molecular conformations on the electronic structure of organic charge transfer salts
    Phys. Rev. B 92, 081109(R) (2015) (doi,pdf), (abstract).
    _____________________________________
  32. J. K. Glasbrenner, I. I. Mazin, H. O. Jeschke, P. J. Hirschfeld, R. M. Fernandes, R. Valentí
    Effect of magnetic frustration on nematicity and superconductivity in Fe chalcogenides
    Nature Physics 11, 953 (2015) (doi,pdf), (abstract).
    _____________________________________
  33. M. Altmeyer, R. Valentí, H. O. Jeschke
    Role of layer packing for the electronic properties of the organic superconductor (BEDT-TTF)2Ag(CF3)4(TCE)
    Phys. Rev. B 91, 245137 (2015) (doi,pdf), (abstract).
    _____________________________________
  34. D. Guterding, S. Backes, H. O. Jeschke, R. Valentí
    Origin of the superconducting state in the collapsed tetragonal phase of KFe2As2
    Phys. Rev. B 91, 140503(R) (2015) (doi,pdf,supplement), (abstract).
    _____________________________________
  35. H. O. Jeschke, F. Salvat-Pujol, E. Gati, N. H. Hoang, B. Wolf, M. Lang, J. A. Schlueter, R. Valentí
    Barlowite as a canted antiferromagnet: theory and experiment
    Phys. Rev. B 92, 094417 (2015) (doi,pdf), (abstract).
    _____________________________________
  36. D. Guterding, H. O. Jeschke, P. J. Hirschfeld, R. Valentí
    Unified picture of the doping dependence of superconducting transition temperatures in alkali metal/ammonia intercalated FeSe
    Phys. Rev. B 91, 041112(R) (2015) (doi,pdf,supplement), (abstract).
    _____________________________________
  37. Y. Li, K. Foyevtsova, H. O. Jeschke, R. Valentí
    Analysis of the optical conductivity for A2IrO3 (A = Na, Li) from first principles
    Phys. Rev. B 91, 161101(R) (2015) (doi,pdf), (abstract).
    _____________________________________
  38. M. Rudloff, K. Ackermann, M. Huth, H. O. Jeschke, M. Tomić, R. Valentí, B. Wolfram, M. Bröring, M. Bolte, D. Chercka, M. Baumgarten, K. Müllen
    Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene–tetracyanoquinodimethane
    Phys. Chem. Chem. Phys. 17, 4118 (2015) (doi,pdf), (abstract).
    _____________________________________
  39. H. O. Jeschke, J. Shen, R. Valentí
    Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3
    New J. Phys. 17, 023034 (2015) (doi,pdf), (abstract).
    _____________________________________
  40. Y. Wang, M. N. Gastiasoro, B. M. Andersen, M. Tomić, H. O. Jeschke, R. Valentí, I. Paul, P. J. Hirschfeld
    Effects of Lifshitz Transition on Charge Transport in Magnetic Phases of Fe-Based Superconductors
    Phys. Rev. Lett. 114, 097003 (2015) (doi,pdf), (abstract).
    _____________________________________
     2014 
    _____________________________________
  41. U. Tutsch, B. Wolf, S. Wessel, Y. Tsui, H. O. Jeschke, I. Opahle, T. Saha-Dasgupta, R. Valentí, A. Brühl, K. Remović-Langer, T. Kretz, H.-W. Lerner, M. Wagner, M. Lang
    Evidence of a field-induced Berezinskii–Kosterlitz–Thouless scenario in a two-dimensional spin–dimer system
    Nature Commun. 5, 5169 (2014) (doi), (abstract).
    _____________________________________
  42. M. Tomić, H. O. Jeschke, R. Valentí
    Unfolding of electronic structure through induced representations of space groups: Application to Fe-based superconductors
    Phys. Rev. B 90, 195121 (2014) (doi,pdf), (abstract).
    _____________________________________
  43. J. Diehl, S. Backes, D. Guterding, H. O. Jeschke, R. Valentí
    Correlation effects in the tetragonal and collapsed tetragonal phase of CaFe2As2
    Phys. Rev. B 90, 085110 (2014) (doi,pdf), (abstract).
    _____________________________________
  44. S. Backes, D. Guterding, H. O. Jeschke, R. Valentí
    Electronic structure and de Haas-van Alphen frequencies in KFe2As2 within LDA+DMFT
    New J. Phys. 16, 085025 (2014) (doi,pdf), (abstract).
    _____________________________________
  45. I. I. Mazin, H. O. Jeschke, F. Lechermann, H. Lee, M. Fink, R. Thomale, R. Valentí
    Theoretical prediction of a strongly correlated Dirac metal
    Nature Commun. 5, 4261 (2014) (doi,pdf), (abstract).
    _____________________________________
  46. F. Salvat-Pujol, H. O. Jeschke, R. Valentí
    Determination of magnetic form factors for organic charge transfer salts: a first principles investigation
    Phys. Rev. B 90, 041101(R) (2014) (doi,pdf), (abstract).
    _____________________________________
  47. S. A. J. Kimber, I. I. Mazin, J. Shen, H. O. Jeschke, S. V. Streltsov, D. N. Argyriou, R. Valentí, D. I. Khomskii
    Valence bond liquid phase in the honeycomb lattice material Li2RuO3
    Phys. Rev. B 89, 081408(R) (2014) (doi,pdf,supplement), (abstract).
    _____________________________________
  48. S. Manni, S. Choi, I. I. Mazin, R. Coldea, M. Altmeyer, H. O. Jeschke, R. Valentí, P. Gegenwart
    Effect of isoelectronic doping on honeycomb lattice iridate A2IrO3
    Phys. Rev. B 89, 245113 (2014) (doi,pdf), (abstract).
    _____________________________________
  49. S. A. J. Kimber, A. Salamat, S. R. Evans, H. O. Jeschke, K. Muthukumar, M. Tomić, F. Salvat-Pujol, R. Valentí, M. V. Kaisheva, I. Zizak, T. Chatterji
    Giant pressure-induced volume collapse in the pyrite mineral MnS2
    Proc. Natl. Acad. Sci. 111, 5106 (2014) (doi,pdf,supplement), (abstract).
    _____________________________________
  50. M. D. Watson, A. McCollam, S.F. Blake, D. Vignolles, L. Drigo, I. I. Mazin, D. Guterding, H. O. Jeschke, R. Valentí, N. Ni, R. Cava, A. I. Coldea
    Field-induced nematic-like magnetic transition in an iron pnictide superconductor, Ca10(Pt3As8) ((Fe1-xPtx)2As2)5
    Phys. Rev. B 89, 205136 (2014) (doi,pdf), (abstract).
    _____________________________________
  51. J. Ferber, K. Foyevtsova, H. O. Jeschke, R. Valentí
    Unveiling the microscopic nature of correlated organic conductors: the case of κ-(BEDT-TTF)2Cu[N(CN)2]BrxCl1-x
    Phys. Rev. B 89, 205106 (2014) (doi,pdf), (abstract).
    _____________________________________
  52. K. Muthukumar, R. Valentí, H. O. Jeschke
    Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl and their fragments adsorbed on silica surfaces
    J. Chem. Phys. 140, 184706 (2014) (doi,pdf), (abstract).
    _____________________________________
  53. H. Lee, Y.-Z. Zhang, H. O. Jeschke, R. Valentí
    Competition between band and Mott insulators in the bilayer Hubbard model: a dynamical cluster approximation study
    Phys. Rev. B 89, 035139 (2014) (doi,pdf), (abstract).
    _____________________________________
     2013 
    _____________________________________
  54. N. Mevedev, H. O. Jeschke, B. Ziaja
    Nonthermal graphitization of diamond induced by a femtosecond x-ray laser pulse
    Phys. Rev. B 88, 224304 (2013) (doi,pdf), (abstract).
    _____________________________________
  55. A.C. Jacko, L. F. Tocchio, H. O. Jeschke, R. Valentí
    Importance of anisotropy in the spin-liquid candidate Me3EtSb[Pd(dmit)2]2
    Phys. Rev. B 88, 155139 (2013) (doi,pdf), (abstract).
    _____________________________________
  56. J. Gaudin, N. Medvedev, J. Chalupsky, T. Burian, S. Dastjani-Farahani, V. Hajkova, M. Harmand, H. O. Jeschke, L. Juha, M. Jurek, D. Klinger, J. Krzywinski, R. A. Loch, S. Moeller, M. Nagasono, C. Ozkan, K. Saksl, H. Sinn, R. Sobierajski, P. Sovak, S. Toleikis, K. Tiedtke, M. Toufarova, T. Tschentscher, V. Vorlicek, L. Vysin, H. Wabnitz, B. Ziaja
    Photon energy dependence of graphitization threshold for diamond irradiated with an intense XUV FEL pulse
    Phys. Rev. B 88, 060101(R) (2013) (doi,pdf), (abstract).
    _____________________________________
  57. H. O. Jeschke, F. Salvat-Pujol, R. Valentí
    First-principles determination of Heisenberg Hamiltonian parameters for the spin-1/2 kagome antiferromagnet ZnCu3(OH)6Cl2
    Phys. Rev. B 88, 075106 (2013) (doi,pdf), (abstract).
    _____________________________________
  58. H. O. Jeschke, I. I. Mazin, R. Valentí
    Why MgFeGe is not a superconductor
    Phys. Rev. B 87, 241105(R) (2013) (doi,pdf), (abstract).
    _____________________________________
  59. A. Ruff, M. Sing, R. Claessen, H. Lee, M. Tomić, H. O. Jeschke, R. Valentí
    Absence of metallicity in K-doped picene: Importance of electronic correlations
    Phys. Rev. Lett. 110, 216403 (2013) (doi,pdf,supplement), (abstract).
    _____________________________________
  60. I. I. Mazin, S. Manni, K. Foyevtsova, H. O. Jeschke, P. Gegenwart, R. Valentí
    Origin of the insulating state in honeycomb iridates and rhodates
    Phys. Rev. B 88, 035115 (2013) (doi,pdf), (abstract).
    _____________________________________
  61. K. Foyevtsova, H. O. Jeschke, I. I. Mazin, D. I. Khomskii, R. Valentí
    Ab initio analysis of the tight-binding parameters and magnetic interactions in Na2IrO3
    Phys. Rev. B 88, 035107 (2013) (doi,pdf), (abstract).
    _____________________________________
  62. H. Lee, Y.-Z. Zhang, H. Lee, Y. Kwon, H. O. Jeschke, R. Valentí
    Semiclassical approximation solved by Monte Carlo integration as an efficient impurity solver for dynamical mean field theory and its cluster extensions
    Phys. Rev. B 88, 165126 (2013) (doi,pdf), (abstract).
    _____________________________________
  63. A. C. Jacko, H. Feldner, E. Rose, F. Lissner, M. Dressel, R. Valentí, H. O. Jeschke
    Electronic properties of Fabre charge-transfer salts under various temperature and pressure conditions
    Phys. Rev. B 87, 155139 (2013) (doi,pdf), (abstract).
    _____________________________________
  64. N. Medvedev, H. O. Jeschke, B. Ziaja
    Nonthermal phase transitions in semiconductors induced by a femtosecond extreme ultraviolet laser pulse
    New J. Phys. 15, 015016 (2013) (doi,pdf), (abstract).
    _____________________________________
  65. M. Tomić, H. O. Jeschke, R. M. Fernandez, R. Valentí
    Uniaxial strain effects on the structural and electronic properties of BaFe2As2 and CaFe2As2
    Phys. Rev. B 87, 174503 (2013) (doi,pdf), (abstract).
    _____________________________________
  66. F. Salvat-Pujol, H. O. Jeschke, R. Valentí
    Simulation of electron transport during electron-beam-induced deposition of nanostructures
    Beilstein J. Nanotechnol. 4, 781 (2013) (doi,pdf), (abstract).
    _____________________________________
  67. S. Backes, H. O. Jeschke
    Finite temperature and pressure molecular dynamics for BaFe2As2
    Phys. Rev. B 88, 075111 (2013) (doi,pdf), (abstract).
    _____________________________________
  68. L. F. Tocchio, H. Lee, H. O. Jeschke, R. Valentí, C. Gros
    Mott correlated states in the underdoped two-dimensional Hubbard model: variational Monte Carlo versus a dynamical cluster approximation
    Phys. Rev. B 87, 045111 (2013) (doi,pdf), (abstract).
    _____________________________________
     2012 
    _____________________________________
  69. I. I. Mazin, H. O. Jeschke, K. Foyevtsova, R. Valentí, D. I. Khomskii
    Na2IrO3 as a molecular orbital crystal
    Phys. Rev. Lett. 109, 197201 (2012) (doi,pdf,supplement), (abstract).
    _____________________________________
  70. J. Ferber, H. O. Jeschke, R. Valentí
    Fermi surface topology of LaFePO and LiFeP
    Phys. Rev. Lett. 109, 236403 (2012) (doi,pdf,supplement), (abstract).
    _____________________________________
  71. J. Shen, H. Lee, R. Valentí, H. O. Jeschke
    Ab initio study of the two-dimensional metallic state at the surface of SrTiO3: importance of oxygen vacancies
    Phys. Rev. B 86, 195119 (2012) (doi,pdf), (abstract).
    _____________________________________
  72. R. Wallauer, S. Voss, L. Foucar, T. Bauer, D. Schneider, J. Titze, B. Ulrich, K. Kreidi, N. Neumann, T. Havermeier, M. Schöffler, T. Jahnke, A. Czasch, L. Schmidt, A. Kanigel, J. C. Campuzano, H. Jeschke, R. Valentí, A. Müller, G. Berner, M. Sing, R. Claessen, H. Schmidt-Böcking, R. Dörner
    Momentum spectrometer for electron-electron coincidence studies on superconductors
    Rev. Sci. Instrum. 83, 103905 (2012) (doi,pdf), (abstract).
    _____________________________________
  73. K. Muthukumar, R. Valentí, H. O. Jeschke
    Simulation of structural and electronic properties of amorphous tungsten oxycarbides
    New. J. Phys. 14, 113028 (2012) (doi,pdf), (abstract).
    _____________________________________
  74. K. Muthukumar, H. O. Jeschke, R. Valentí, E. Begun, J. Schwenk, F. Porrati, and M. Huth
    Spontaneous Dissociation of Co2(CO)8 and Autocatalytic growth of Co on SiO2 : A Combined Experimental and Theoretical Investigation
    Beilstein J. Nanotechnol. 3, 546 (2012) (doi,pdf), (abstract).
    _____________________________________
  75. K. Medjanik, D. Chercka, P. Nagel, M. Merz, S. Schuppler, M. Baumgarten, K. Müllen, S. A. Nepijko, H. J. Elmers, Gerd Schönhense, H. O. Jeschke, and R. Valenti
    Orbital-Resolved Partial Charge Transfer from the Methoxy Groups of Substituted Pyrenes in Complexes with Tetracyanoquinodimethane - A NEXAFS Study
    J. Am. Chem. Soc. 134, 4694 (2012) (doi), (abstract).
    _____________________________________
  76. J. Shen, K. Muthukumar, H. O. Jeschke, R. Valentí
    Physisorption of an organometallic platinum complex on silica. An ab initio study
    New J. Phys. 14, 073040 (2012) (doi,pdf), (abstract).
    _____________________________________
  77. M. Pregelj, H. O. Jeschke, H. Feldner, R. Valentí, A. Honecker, T. Saha-Dasgupta, H. Das, S. Yoshii, T. Morioka, H. Nojiri, H. Berger, A. Zorko, O. Zaharko, D. Arčon
    Multiferroic FeTe2O5Br: Alternating spin chains with frustrated interchain interactions
    Phys. Rev. B 86, 054402 (2012) (doi,pdf), (abstract).
    _____________________________________
  78. Harald O. Jeschke, Mariano de Souza, R. Valentí, Rudra Sekhar Manna, Michael Lang, and John A. Schlueter
    Temperature dependence of structural and electronic properties of the spin-liquid candidate κ-(BEDT-TTF)2Cu2(CN)3
    Phys. Rev. B 85, 035125 (2012) (doi,pdf), (abstract).
    _____________________________________
  79. Yu-Zhong Zhang, Hunpyo Lee, Hai-Qing Lin, Chang-Qin Wu, Harald O. Jeschke, and Roser Valentí
    A General Mechanism for Orbital Selective Phase Transitions
    Phys. Rev. B 85, 035123 (2012) (doi,pdf), (abstract).
    _____________________________________
  80. Johannes Ferber, Kateryna Foyevtsova, Roser Valentí, and Harald O. Jeschke
    LDA+DMFT study of the effects of correlation in LiFeAs
    Phys. Rev. B 85, 094505 (2012) (doi,pdf), (abstract).
    _____________________________________
  81. Hunpyo Lee, Kateryna Foyevtsova, Johannes Ferber, Markus Aichhorn, Harald O. Jeschke, and Roser Valentí
    Dynamical cluster approximation within an augmented plane-wave framework: Spectral properties of SrVO3
    Phys. Rev. B 85, 165103 (2012) (doi,pdf), (abstract).
    _____________________________________
  82. Milan Tomić, Roser Valentí, and Harald O. Jeschke
    Uniaxial versus hydrostatic pressure-induced phase transitions in CaFe2As2 and BaFe2As2
    Phys. Rev. B 85, 094105 (2012) (doi,pdf), (abstract).
    _____________________________________
     2011 
    _____________________________________
  83. Kaliappan Muthukumar, Ingo Opahle, Juan Shen, Harald O. Jeschke, and Roser Valentí
    Interaction of W(CO)6 with SiO2 Surfaces -- A Density Functional Study
    Phys. Rev. B 84, 205442 (2011) (doi,pdf), (abstract).
    _____________________________________
  84. H. Lee, Y.-Z. Zhang, H. O. Jeschke, and Roser Valentí
    Anisotropic two-orbital Hubbard model: Single-site versus cluster Dynamical Mean-Field Theory
    Ann. Phys. (Berlin) 523, 689 (2011) (doi,pdf), (abstract).
    _____________________________________
  85. H. O. Jeschke, I. Opahle, H. Kandpal, R. Valentí, H. Das, T. Saha-Dasgupta, O. Janson, H. Rosner, A. Brühl, B. Wolf, M. Lang, J. Richter, S. Hu, X. Wang, R. Peters, T. Pruschke, A. Honecker
    Multi-step approach to microscopic models for frustrated quantum magnets: The case of the natural mineral azurite
    Phys. Rev. Lett. 106, 217201 (2011). (doi,pdf,EPAPS), (abstract).
    _____________________________________
  86. P. T. Cong, B. Wolf, M. de Souza, N. Krüger, A. A. Haghighirad, S. Gottlieb-Schönmeyer, F. Ritter, W. Aßmus, I. Ophale, K. Foyevtsova, H. O. Jeschke, R. Valentí, L. Wiehl, M. Lang
    Distinct magnetic regimes through site-selective atom substitution in the frustrated quantum antiferromagnet Cs2CuCl4-xBrx
    Phys. Rev. B 83, 064425 (2011). (doi,pdf), (abstract).
    _____________________________________
  87. H. Lee, Y. Z. Zhang, H. O. Jeschke, Roser Valentí
    Orbital selective phase transition induced by different magnetic states: A dynamical cluster approximation study
    Phys. Rev. B 84, 020401(R) (2011). (doi,pdf), (abstract).
    _____________________________________
  88. N.H. Phan, I. Halasz, I. Opahle, E. Alig, L. Fink, J.W. Bats, P.T. Cong, H.-W. Lerner, B. Sarkar, B. Wolf, H.O. Jeschke, M. Lang, Roser Valentí, R. Dinnebier and M. Wagner
    Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer
    CrystEngComm 13, 391 (2011). (doi, pdf), (abstract).
    _____________________________________
  89. K. Foyevtsova, I. Opahle, Y.-Z. Zhang, H. O. Jeschke, Roser Valentí
    Determination of effective microscopic models for the frustrated antiferromagnets Cs2CuCl4 and Cs2CuBr4 by density functional methods
    Phys. Rev. B 83, 125126 (2011). (doi, pdf), (abstract).
    _____________________________________
  90. Y.-Z. Zhang, H. Lee, I. Opahle, H. O. Jeschke, R. Valentí
    Importance of Fermi Surface Nesting and Quantum Fluctuations for the Magnetism in Iron Pnictides
    J. Phys. Chem. Solids 72, 324 (2011). (doi, pdf), (abstract).
    _____________________________________
     2010 
    _____________________________________
  91. S. A. J. Kimber, A. H. Hill, Y.-Z. Zhang, H. O. Jeschke, R. Valentí, C. Ritter, I. Schellenberg, W. Hermes, R. Pöttgen, D. N. Argyriou
    Local moments and symmetry breaking in metallic PrMnSbO
    Phys. Rev. B 82, 100412(R) (2010). (doi, pdf), (abstract).
    _____________________________________
  92. K. Foyevtsova, H. C. Kandpal, H. O. Jeschke, S. Graser, H.-P. Cheng, Roser Valentí, P. J. Hirschfeld
    Modulation of pairing interaction in Bi2Sr2CaCu2O8+δ by an O dopant: a density functional theory study
    Phys. Rev. B 82, 054514 (2010). (doi, pdf), (abstract).
    _____________________________________
  93. J. Ferber, Y.-Z. Zhang, H. O. Jeschke, R. Valentí
    Analysis of spin density wave conductivity spectra of iron pnictides in the framework of density functional theory
    Phys. Rev. B 82, 165102 (2010). (doi, pdf), (abstract).
    _____________________________________
  94. Y.-Z. Zhang, I. Opahle, H. O. Jeschke, R. Valentí
    Itinerant Nature of Magnetism in Iron Pnictides: A first principles study
    Phys. Rev. B 81, 094505 (2010). (doi, pdf), (abstract).
    _____________________________________
  95. H. Lee, Y.-Z. Zhang, H. O. Jeschke, R. Valentí
    Possible origin of the reduced ordered moment in iron pnictides: a Dynamical Mean Field Theory study
    Phys. Rev. B 81, 220506(R) (2010). (doi, pdf), (abstract).
    _____________________________________
  96. H. Lee, Y.-Z. Zhang, H. O. Jeschke, R. Valentí, H. Monien
    Dynamical cluster approximation study of the anisotropic two-orbital Hubbard model
    Phys. Rev. Lett. 104, 026402 (2010). (doi, pdf), (abstract).
    _____________________________________
  97. H. O. Jeschke, H. C. Kandpal, I. Opahle, Y.-Z. Zhang, R. Valentí
    First principles determination of the model parameters in κ-(ET)2Cu2(CN)3
    Physica B 405, S224 (2010). (doi, pdf), (abstract).
    _____________________________________
  98. S. Thirupathaiah, S. de Jong, R. Ovsyannikov, H. A. Dürr, A. Varykhalov, R. Follath, Y. Huang, R. Huisman, M. S. Golden, Y.-Z. Zhang, H. O. Jeschke, R. Valentí, A. Erb, A. Gloskovskii, J. Fink
    Orbital character variation of the Fermi surface and doping dependent changes of the dimensionality in BaFe2-xCoxAs2 from angle-resolved photoemission spectroscopy
    Phys. Rev. B 81, 104512 (2010). (doi, pdf), (abstract).
    _____________________________________
  99. Y.-Z. Zhang, I. Opahle, H. O. Jeschke, R. Valentí
    Pressure-driven phase transitions in TiOCl and the family (Ca, Sr, Ba)Fe2As2
    J. Phys.: Condens. Matter 22, 164208 (2010). (doi, preprint), (abstract).
    _____________________________________
  100. Y.-Z. Zhang, K. Foyevtsova, H. O. Jeschke, M. U. Schmidt, R. Valentí
    Can the Mott Insulator TiOCl be Metallized by Doping? A First-Principles Study
    Phys. Rev. Lett. 104, 146402 (2010). (doi, pdf), (abstract).
    _____________________________________
     2009 
    _____________________________________
  101. S. A. J. Kimber, A. Kreyssig, Y. Z. Zhang, H. O. Jeschke, R. Valentí, F. Yokaichiya, E. Colombier, J. Yan, T. C. Hansen, T. Chatterji, R. J. McQueeney, P. C. Canfield, A. I. Goldman, D. N. Argyriou
    Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
    Nature Materials 8, 471 (2009). (doi,preprint), (abstract).
    _____________________________________
  102. H.C. Kandpal, I. Opahle, Y.-Z. Zhang, H. O. Jeschke, R. Valentí
    Revision of model parameters for κ-type charge transfer salts: an ab initio study
    Phys. Rev. Lett. 103, 067004 (2009). (doi, pdf), (abstract).
    _____________________________________
  103. Q. Feng, Y.-Z. Zhang, H. O. Jeschke
    Fast impurity solver based on equations of motion and decoupling
    Phys. Rev. B 79, 235112 (2009). (doi, pdf), (abstract).
    _____________________________________
  104. H. O. Jeschke, M. Diakhate, M. E. Garcia
    Molecular dynamics simulations of laser induced damage of nanostructures and solids
    App. Phys. A 96, 33 (2009). (doi,pdf), (abstract).
    _____________________________________
  105. J. Fink, S. Thirupathaiah, R. Ovsyannikov, H.A. Duerr, R. Follath, Y. Huang, S. de Jong, M. S. Golden, Y.-Z. Zhang, H. O. Jeschke, R. Valentí, C. Felser, S. Dastjani Farahani, M. Rotter, D. Johrendt
    Electronic structure studies of BaFe2As2 by angle-resolved photoemission spectroscopy
    Phys. Rev. B 79, 155118 (2009). (doi, pdf), (abstract).
    _____________________________________
  106. Y. Z. Zhang, H. C. Kandpal, I. Opahle, H. O. Jeschke, and R. Valentí
    Microscopic origin of pressure-induced phase transitions in iron-pnictide AFe2As2 superconductors: an ab initio molecular dynamics study
    Phys. Rev. B 80, 094530 (2009). (doi, pdf), (abstract).
    _____________________________________
  107. K. Foyevtsova, Y. Z. Zhang, H. O. Jeschke, and R. Valentí
    First principles perspective on the microscopic model for Cs2CuCl4 and Cs2CuBr4
    J. Phys.: Conf. Ser. 145, 012038 (2009). (doi, pdf), (abstract).
    _____________________________________
     2008 
    _____________________________________
  108. Y. Z. Zhang, H. O. Jeschke, and R. Valentí
    Microscopic model for transitions from Mott to spin-Peierls insulator in TiOCl
    Phys. Rev. B 78, 205104 (2008). (doi, pdf), (abstract).
    _____________________________________
  109. Y. Z. Zhang, H. O. Jeschke, and R. Valentí
    Two pressure-induced transitions in TiOCl: Mott insulator to anisotropic metal
    Phys. Rev. Lett. 101, 136406 (2008). (doi, pdf), (abstract).
    _____________________________________
     2007 
    _____________________________________
  110. H. O. Jeschke, L. A. Salguero, B. Rahaman, C. Buchsbaum, V. Pashchenko, M. U. Schmidt, T. Saha-Dasgupta, and R. Valentí
    Microscopic modeling of a spin crossover transition
    New J. Phys. 9, 448 (2007). (doi, pdf), (abstract).
    _____________________________________
  111. H. O. Jeschke, A. H. Romero, M. E. Garcia, and A. Rubio
    Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes
    Phys. Rev. B 75, 125412 (2007). (doi, pdf), (abstract).
    _____________________________________
  112. L. A. Salguero, H. O. Jeschke, B. Rahaman, T. Saha-Dasgupta, C. Buchsbaum, M. U. Schmidt, and R. Valentí
    Cu-based metalorganic systems: an ab initio study of the electronic structure
    New J. Phys. 9, 26 (2007). (doi, pdf), (abstract).
    _____________________________________
  113. H. O. Jeschke, L. A. Salguero, R. Valentí, C. Buchsbaum, M. U. Schmidt, and M. Wagner
    Classical and ab initio preparation of reliable structures for polymeric coordination compounds
    Comptes Rendus Chimie 10, 82 (2007). (doi, pdf), (abstract).
    _____________________________________
  114. R. Valentí, T. Saha-Dasgupta, H. O. Jeschke, B. Rahaman, H. Rosner, P. Lemmens, R. Takagi, and M. Johnsson
    Comparative investigation of the coupled tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br and Cu4Te5O12X4
    Physica C 460-462, 462 (2007). (doi, pdf), (abstract).
    _____________________________________
  115. B. Rahaman, H. O. Jeschke, R. Valentí, and T. Saha-Dasgupta
    Microscopic model for the frustrated Cu II-spin tetrahedron-based Cu4Te5O12X4 (X=Cl, Br) systems
    Phys. Rev. B 75, 024404 (2007). (doi, pdf), (abstract).
    _____________________________________
     2006 
    _____________________________________
  116. T. Dumitrica, M. E. Garcia, H. O. Jeschke, and B. I. Yakobson
    Breathing coherent phonons and caps fragmentation in carbon nanotubes following ultrafast laser pulses
    Phys. Rev. B 74, 193406 (2006). (doi, pdf), (abstract).
    _____________________________________
  117. F. Valencia, A. H. Romero, H. O. Jeschke, and M. E. Garcia
    Large amplitude coherent phonons and inverse Stone-Wales transitions in graphitic systems with defects interacting with ultrashort laser pulses
    Phys. Rev. B 74, 075409 (2006). (doi, pdf), (abstract).
    _____________________________________
  118. A. H. Romero, H. O. Jeschke, and M. E. Garcia
    Laser Manipulation of Nanodiamonds
    Com. Mat. Sci. 35, 179 (2006). (doi, pdf), (abstract).
    _____________________________________
     2005 
    _____________________________________
  119. A. H. Romero, M. E. Garcia, F. Valencia, H. Terrones, M.Terrones, and H. O. Jeschke
    Femtosecond Laser Nanosurgery of Defects in Carbon Nanotubes
    Nano Lett. 5, 1361 (2005). (doi, pdf), (abstract).
    _____________________________________
  120. H. O. Jeschke and G. Kotliar
    Decoupling method for dynamical mean field theory calculations
    Phys. Rev. B 71, 085103 (2005). (doi, pdf), (abstract).
    _____________________________________
     2004 
    _____________________________________
  121. A. H. Romero, H. O. Jeschke, A. Rubio and M. E. Garcia
    Atomistic simulation of the laser induced damage in single wall carbon nanotubes: Diameter and chirality dependence
    Appl. Phys. A 79, 899 (2004). (doi, pdf), (abstract).
    _____________________________________
  122. M. E. Garcia, T. Dumitrica and H. O. Jeschke
    Laser induced coherent phonons in graphite and carbon nanotubes: model and simulations
    Appl. Phys. A 79, 855 (2004). (doi, pdf), (abstract).
    _____________________________________
  123. T. Dumitrica, M. E. Garcia, H. O. Jeschke and B. I. Yakobson
    Selective cap opening in carbon nanotubes driven by laser-induced coherent phonons
    Phys. Rev. Lett. 92, 117401 (2004). (doi, pdf), (abstract).
    _____________________________________
     2003 
    _____________________________________
  124. S. L. Johnson, A. M. Lindenberg, P. A. Heimann, Z. Chang, R. W. Lee, M. E. Garcia, H. O. Jeschke, J. J. Rehr and R. W. Falcone
    Properties of liquid silicon observed by time-resolved x-ray absorption spectroscopy
    Phys. Rev. Lett. 91, 157403 (2003). (doi, pdf), (abstract).
    _____________________________________
  125. M. E. Garcia and H. O. Jeschke
    Theoretical approach to the laser induced melting of graphite under different pressure conditions
    Appl. Surf. Sci. 208-209, 61 (2003). (doi, pdf), (abstract).
    _____________________________________
     2002 
    _____________________________________
  126. H. O. Jeschke, M. E. Garcia, M. Lenzner, J. Bonse, J. Krüger, and W. Kautek
    Laser ablation thresholds of Silicon for different pulse durations: theory and experiment
    Appl. Surf. Sci. 197-198, 839 (2002). (doi, pdf), (abstract).
    _____________________________________
  127. H. O. Jeschke and M. E. Garcia
    Theoretical description of the ultrafast ablation of diamond and graphite: dependence of thresholds on pulse duration
    Appl. Surf. Sci. 197-198, 107 (2002). (doi, pdf), (abstract).
    _____________________________________
  128. H. O. Jeschke, M. E. Garcia, and J. A. Alonso
    Nonthermal fragmentation of C60
    Chem. Phys. Lett. 352, 154 (2002). (doi, pdf), (abstract).
    _____________________________________
  129. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Time-dependent energy absorption changes during ultrafast lattice deformation
    J. Appl. Phys. 91, 18 (2002). (doi, pdf), (abstract).
    _____________________________________
     2001 
    _____________________________________
  130. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Theory for the ultrafast ablation of graphite films
    Phys. Rev. Lett. 87, 015003 (2001). (doi, pdf), (abstract).
    _____________________________________
     2000 
    _____________________________________
  131. M. E. Garcia, H. O. Jeschke, I. Grigorenko, and K. H. Bennemann
    Theory for the ultrafast dynamics of excited clusters: interplay between elementary excitations and atomic structure
    Appl. Phys. B 71, 361-371 (2000). (doi, pdf), (abstract).
    _____________________________________
     1996-1999 
    _____________________________________
  132. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Theory for Laser Induced Ultrafast Phase Transitions in Carbon
    Appl. Phys. A 69[Suppl.], S49-S53 (1999). (doi, pdf), (abstract).
    _____________________________________
  133. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Microscopic analysis of the femtosecond graphitization of diamond
    Phys. Rev. B 60, R3701-R3704 (1999) (Rapid Communication). (doi, pdf), (abstract).
    _____________________________________
  134. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Theory for the Ultrafast Structural Response of Optically Excited Small Clusters: Time Dependence of the Ionization Potential
    Phys. Rev. A 54, R4601-R4604 (1996) (Rapid Communication). (doi, pdf), (abstract).
    _____________________________________
  135. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Analysis of the Ultrafast Dynamics of the Silver Trimer upon Photodetachment
    J. Phys. B 29, L545-L549 (1996) (letter to the editor). (doi, pdf), (abstract).
    _____________________________________

 Non-refereed publications 

    _____________________________________
  1. H. O. Jeschke and M. E. Garcia
    Ultrafast structural changes induced by femtosecond laser pulses
    in Bernhard W. Adams (ed.), Nonlinear Optics, Quantum Optics and Ultrafast Phenomena with X-rays, Kluwer Academic Publishers, Boston/Dordrecht/London, June 2003, pp. 175-214. (preprint), (abstract).
    _____________________________________
  2. K. Sokolowski-Tinten, S. Kudryashov, V. Temnov, J. Bialkowski, D. von der Linde, A. Cavalleri, H. O. Jeschke,  M. E. Garcia, and K. H. Bennemann
    Femtosecond laser ablation of graphite,
    in Ultrafast Phenomena XII, Eds. T. Elsaesser, S. Mukamel, M. Murnane and N. F. Scherer, Springer Series in Chemical Physics 66, 276 (Springer, Heidelberg, 2000). (preprint), (abstract).
    _____________________________________
  3. H. O. Jeschke, M. E. Garcia, and K. H. Bennemann
    Ultrafast Structural Response and Nonlinear Fragmentation Dynamics of Small Clusters Induced by Optical Excitation
    in Theory of Atomic and Molecular Clusters, edited by J. Jellinek, Springer Series in Cluster Physics, Springer-Verlag, Heidelberg 1999, pp. 181-208, (abstract).
    _____________________________________

    Other publications

    _____________________________________
  1. Li Jinfa
    Gefühle
    ausgewählte Gedichte,aus dem Chinesischen von Harald Jeschke,
    Orientierungen 2/1999, p. 61-66.
    _____________________________________

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Print version: Feb. 17, 2017