• 2017

    • A. Arora, M. Drüppel, R. Schmidt, T. Deilmann, M.R. Molas, P. Marauhn, S. Michaelis de Vasconcellos, M. Potemski, M. Rohlfing, and R. Bratschitsch
      Interlayer excitons in a bulk van der Waals semiconductor
      Nature Communications 8, Article number: 639 (2017)
    • J. Feng, C.-W. Tseng, T. Chen, X. Leng, H. Yin, Y.-C. Cheng, M. Rohlfing, and Y. Ma
      A new energy transfer channel from carotenoids to chlorophylls in purple bacteria
      Nature Communications 8, Article number 71: (2017)
    • R. Frisenda, M. Drüppel, R. Schmidt, S. Michaelis de Vasconcellos, D. Perez de Lara, R. Bratschitsch, M. Rohlfing, and A. Castellanos-Gomez
      Biaxial strain tuning of the optical properties of single-layer transition metal dichalcogenides
      2D Materials and Applications 1, article no. 10 (2017)
    • A. Arora, J. Noky, M. Drüppel, B. Jariwala, T. Deilmann, R. Schneider, R. Schmidt, O. Del Pozo-Zamudio, T. Stiehm, A. Bhattacharya, P. Krüger, S. Michaelis de Vasconcellos, M. Rohlfing, and R. Bratschitsch
      Highly Anisotropic in-Plane Excitons in Atomically Thin and Bulklike 1T'-ReSe2
      Nano Lett. 17, 3202 (2017)
    • C. Datzer, A. Zumbülte, J. Braun, T. Förster, A.B. Schmidt, J. Mi, B. Iversen, P. Hofmann, J. Minár, H. Ebert, P. Krüger, M. Rohlfing, and M. Donath
      Unraveling the spin structure of unoccupied states in Bi2Se3
      Phys. Rev. B 95, 115401 (2017)

  • 2015

    • T. Förster, P. Krüger, and M. Rohlfing
      Two-dimensional topological phases and electronic spectrum of Bi2Se3 thin films from GW calculations
      Phys. Rev. B 92, 201404(R) (2015)
    • B. Pan, N.-P. Wang, M. Rohlfing
      Electron-hole excitations and optical spectra of bulk SrO from many-body perturbation theory
      Appl. Phys. A 120, 587 (2015)
    • S.D. Stolwijk, K. Sakamoto, A.B. Schmidt, P. Krüger, and. M. Donath
      Spin texture with a twist in momentum space for Tl/Si(111)
      Phys. Rev. B 91, 245420 (2015)
    • S.N.P. Wissing, K.T. Ritter, P. Krüger, A.B. Schmidt, and M. Donath
      Spin-dependent size of interband hybridization gap: The interplay of adlayer and substrate states in Pb/Cu(111)
      Phys. Rev. B 91, 201403(R) (2015)
    • T. Esat, T. Deilmann, B. Lechtenberg, C. Wagner, P. Krüger, R. Temirov, F. Anders, M. Rohlfing, and F. Tautz
      Transfering spin into an extended π orbital of a large molecule
      Phys. Rev. B 91, 144415 (2015)

  • 2014

    • C. Wagner, N. Fournier, V.G. Ruiz, C. Li, K. Müllen, M. Rohlfing, A. Tkatchenko, R. Temirov and F.S. Tautz
      Non-additivity of molecule-surface van der Waals potentials from force measurements
      Nature Comm. 5, 5568 (2014)
    • S.D. Stolwijk, K. Sakamoto, A.B. Schmidt, P. Krüger, and M. Donath
      Thin line of a Rashba-type spin texture: Unoccupied surface resonance of Tl/Si(111) along ΓM
      Phys. Rev. B 90, 161109(R) (2014)
    • B. Baumeier, M. Rohlfing, and D. Andrienko
      Electronic Excitations in Push-Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding
      J. Chem. Theory Comput. 10, 3104 (2014)
    • H. Yin, Y. Ma, J. Mu, C. Liu, and M. Rohlfing
      Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green's Function Theory
      Phys. Rev. Lett. 112, 228301 (2014)
    • T. Deilmann, P. Krüger, M. Rohlfing, and D. Wegner
      Adsorption and STM imaging of tetracyanoethylene on Ag(001): An ab initio study
      Phys. Rev. B 89, 045405 (2014)

  • 2011

    • A. Greuling, M. Rohlfing, R. Temirov, F.S. Tautz, and F.B. Anders
      Ab-initio study of a mechanically gated molecule: From weak to strong correlation
      Phys. Rev. B 84, 125413 (2011)
    • T. Brumme, O.A. Neucheva, C. Toher, R. Gutierrez, C. Weiss, R. Temirov, A. Greuling, M. Kaczmarski, M. Rohlfing, F.S. Tautz, and G. Cuniberti
      Dynamical bistability of single-molecule junctions: A combined experimental and theoretical study of PTCDA on Ag(111)
      Phys. Rev. B 84, 115449 (2011)
    • J. Schütte, R. Bechstein, P. Rahe, H. Langhals, M. Rohlfing and A. Kühnle
      Single-molecule switching with non-contact atomic force microscopy
      Nanotechnology 22, 245701 (2011)
    • C. Toher, R. Temirov, A. Greuling, F. Pump, M. Kaczmarski, G. Cuniberti, M. Rohlfing, and F.S. Tautz
      Electrical transport through a mechanically gated molecular wire
      Phys. Rev. B 83, 155402 (2011)
    • C. Wieferink, P. Krüger and J. Pollmann
      Simulations of friction force microscopy on the KBr(001) surface based on ab initio calculated tip-sample forces
      Phys. Rev. B 83, 235328 (2011)
    • C. Wieferink, P. Krüger and J. Pollmann
      Influence of tip structure on tip-sample interaction forces at the KBr(001) surface: Results from ab initio investigations
      Phys. Rev. B 84, 195402 (2011)

  • 2010

    • G. Bussetti, A. Violante, B. Bonanni, S. Cirilli, C. Goletti, P. Chiaradia, P. Chiarotti, and M. Rohlfing
      Optical absorption measurements of electron quantum confinement in Si(111)-2x1 surface chains
      Phys. Rev. B 82, 153304 (2010)
    • A. Greuling, P. Rahe, M. Kaczmarski, A. Kühnle, and M. Rohlfing
      Combined NC-AFM and DFT study of the adsorption geometry of trimesic acid on rutile TiO2
      Journal of Physics CM 22, 345008 (2010)
    • Z. Yi, Y. Ma, M. Rohlfing, V.M. Silkin, and E.V. Chulkov
      Quasiparticle band structures and lifetimes in noble metals using Gaussian orbital basis sets
      Phys. Rev. B 81, 125125 (2010)
    • M.S. Kaczmarski, Y. Ma and M. Rohlfing
      Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory
      Phys. Rev. B 81, 115433 (2010)
    • P. Rahe, M. Nimmrich, A. Greuling, J. Schütte, I. Stara, J. Rybacek, G. Huerta-Angeles, I. Stary, M. Rohlfing and A. Kühnle
      Towards Molecular Nanowires Self-Assembled on an Insulating Substrate: Heptahelicene-2-Carboxylic Acid on Calcite (10-14)
      J. Phys. Chem. C. 114, 1547 (2010)
    • J. Wieferink, P. Krüger and J. Pollmann
      Ab initio study of atomic hydrogen diffusion on the clean and hydrogen-terminated Si(001) surface
      Phys. Rev. B 82, 075323 (2010)
    • B. Stärk, P. Krüger, and J. Pollmann
      Magnetic Properties of Co and Ni Multilayers on Diamnond Surfaces
      Proceedings of NIC Symposium, 24-25 February 2010, FZ-Jülich, p. 207 (2010)

  • 2009 - 1989

    • Y. Ma, M. Rohlfing and C. Molteni
      Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening
      Phys. Rev. B 80, 241405(R) (2009)
    • J. Schütte, R. Bechstein, M. Rohlfing, M. Reichling, and A. Kühnle
      Cooperative mechanism for anchoring highly polar molecules at an ionic surface
      Phys. Rev. B 80, 205421 (2009)
    • J. Schütte, R. Bechstein, P. Rahe, M. Rohlfing, H. Langhals, and A. Kühnle
      Imaging perylene derivatives on rutile TiO2(110) by noncontact atomic force microscopy
      Phys. Rev. B 79, 045428 (2009)

    2008

    • F. Pump, R. Temirov, O. Neucheva, S. Soubatch, F.S. Tautz, M. Rohlfing, and G. Cuniberti
      Quantum transport through STM-lifted single PTCDA molecules
      Applied Physics A 93, 335 (2008)
    • M. Rohlfing, N.-P. Wang, P. Krüger and J. Pollmann
      Desorption force on hydrogen atoms from resonant excitations of the H:Si(001)-(2×1) surface
      Surface Science 602, 3208 (2008)
    • G. Bussetti, C. Goletti, P. Chiaradia, M. Rohlfing, M.G. Betti, F. Bussolotti, S. Cirilli, C. Mariani, and A. Kanjilal
      Dispersion of surface bands and chain coupling at Si and Ge(111) surfaces
      Surface Science 602, 1423 (2008)
    • Y. Ma and M. Rohlfing
      Optical excitation of deep defect levels in insulators within many-body perturbation theory: The F center in calcium fluoride
      Phys. Rev. B 77, 115118 (2008)
    • P. Krüger, B. Baumeier, and J. Pollmann
      First-principles investigation of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface
      Phys. Rev. B 77, 085329 (2008)
    • B. Baumeier, P. Krüger and J. Pollmann
      Electronic structure of alkali-metal fluorides, oxides, and nitrides: Density-functional calculations including self-interaction corrections
      Phys. Rev. B 78, 125111 (2008)
    • B. Baumeier, P. Krüger and J. Pollmann
      First-principles investigation of the atomic and electronic structure of the 4H-SiC(1102)-c(2x2) surface
      Phys. Rev. B 78, 245318 (2008)

    2007

    • J. K. Garleff, M. Wenderoth, R. G. Ulbrich, C. Sürgers, H. v. Löhneysen, and M. Rohlfing
      Identification of P dopants at nonequivalent lattice sites of the Si(111)-(2×1) surface
      Phys. Rev. B 76, 125322 (2007)
    • M. Rohlfing, R. Temirov, and F. S. Tautz
      Adsorption structure and scanning tunneling data of a prototype organic-inorganic interface: PTCDA on Ag(111)
      Phys. Rev. B 76, 115421 (2007)
    • F. Schreiber, A. Gerlach, N. Koch, E. Zojer, M. Sokolowski, F. S. Tautz, M. Rohlfing, and E. Umbach
      x-ray irradiation" [W. Ji et al., PRL 97, 246101 (2006)]
      Phys. Rev. Lett. 99, 059601 (2007)
    • B. Baumeier, P. Krüger and J. Pollmann
      Atomic and electronic structure of BeO and the BeO(1010) surface: An ab initio investigation
      Phys. Rev. B 75, 045323 (2007)
    • X. Peng, P. Krüger and J. Pollmann
      Why thermal H2 molecules adsorb on SiC(001)-(4x2) and not on SiC(001)-(3x2) at room temperature
      Phys. Rev. B 75, 073409 (2007)
    • B. Baumeier, P. Krüger and J. Pollmann
      Bulk and surface electronic structures of alkaline-earth metal oxides: Bound surface and image-potential states from first principles
      Phys. Rev. B 76, 205404 (2007)

    2006

    • M. Weinhold, S. Soubatch, R. Temirov, M. Rohlfing, B. Jastorff, F. S. Tautz, and C. Doose
      Structure and Bonding of the Multifunctional Amino Acid L-DOPA on Au(110)
      J. Phys. Chem. B 110, 23756 (2006)
    • X. Peng, J. Wieferink, P. Krüger, and J. Pollmann
      Structural and Electronic Properties of Clean and Adsorbate-Covered (001) Surfaces of Cubic SiC
      Proceedings of NIC Symposium, 1-2 March 2006, p. 135, FZ-Jülich (2006)
    • N.-P. Wang, M. Rohlfing, P. Krüger, and J. Pollmann
      Electronic excitations of the H:Si(001)-(2×1) monohydride surface: First-principles calculations
      Phys. Rev. B 74, 155405 (2006)
    • A. Kraft, R. Temirov, S. K. M. Henze, S. Soubatch, M. Rohlfing, and F. S. Tautz
      Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface
      Phys. Rev. B 74, 041402(R) (2006)
    • J. Wieferink, P. Krüger and J. Pollmann
      First-principles study of acetylene and ethylene adsorption on beta-SiC(001)-(2x1)
      Phys. Rev. B 73, 115309 (2006)
    • J. Wieferink, P. Krüger and J. Pollmann
      Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on beta-SiC(001)-(3x2)
      Phys. Rev. B 74, 205311 (2006)

    2005

    • M.Rohlfing, N.-P. Wang, P. Krüger, and J. Pollmann
      Dynamics of excited electronic states at clean and adsorbate-covered insulator surfaces
      Surf. Sci. 593, 19 (2005)
    • R. Oszwadowski, M. Reichelt, T. Meier, S. W. Koch, and M.Rohlfing
      Nonlinear optical response of the Si(111)-(2×1) surface exciton: Influence of biexciton many-body correlations
      Phys. Rev. B 71, 235324 (2005)
    • T. A. Niehaus, M. Rohlfing, F. Della Sala, A. Di Carlo, and Th. Frauenheim
      Quasiparticle energies for large molecules: A tight-binding-based Green's-function approach
      Phys. Rev. A 71, 022508 (2005)
    • M. Weinelt, M. Kutschera, R. Schmidt, Ch. Orth, Th. Fauster, and M. Rohlfing
      Electronic structure and electron dynamics at Si(100)
      Appl. Phys. A 80, 995 (2005)
    • A. Hauschild, K. Karki, B. C. C. Cowie, M. Rohlfing, F. S. Tautz, and M. Sokolowski
      Molecular Distortions and Chemical Bonding of a Large pi-Conjugated Molecule on a Metal Surface
      Phys. Rev. Lett. 94, 036106 (2005)
      [also: Comment by R. Rurali, N. Lorente, and P. Ordejon, and Reply: Phys. Rev. Lett. 95, 209601+209602 (2005)]
    • N.-P. Wang, M. Rohlfing, P. Krüger, and J. Pollmann
      Femtosecond dynamics of excited states of CO adsorbed on MgO(001)-(1x1)
      Phys. Rev. B 71, 045407 (2005)
    • X. Peng, P. Krüger, and J. Pollmann
      Metallization of the 3C-SiC(001)-(3x2) surface induced by hydrogen adsorption: A first-principles investigation
      Phys. Rev. B 72, 245320 (2005)

    2004

    • J. K. Garleff, M. Wenderoth, K. Sauthoff, R. G. Ulbrich, and M. Rohlfing
      2x1 reconstructed Si(111) surface: STM experiments versus ab initio calculations
      Phys. Rev. B 70, 245424 (2004)
    • E. Artacho, M. Rohlfing, M. Cote, P.D. Haynes, R.J. Needs, and C. Molteni
      Structural Relaxations in Electronically Excited Poly(para-phenylene)
      Phys. Rev. Lett. 93, 116401 (2004)

    2003

    • F. Sökeland, M. Rohlfing, P. Krüger, and J. Pollmann
      Density functional and quasiparticle band structure calculations for Al_x_Ga_(1-x)_N and Ga_x_In_(1-x)_N alloys
      Phys. Rev. B 68, 075203 (2003)
    • M. Reichelt, T. Meier, S.W. Koch, and M. Rohlfing
      Theory for the nonlinear optical response of semiconductor surfaces - Application to the optical Stark effect of the Si(111)-(2x1) surface exciton
      Phys. Rev. B 68, 045330 (2003)
    • N.P. Wang, M. Rohlfing, P. Krüger, and J. Pollmann
      Quasiparticle band structure and optical absorption spectrum of the LiF(001) surface
      Phys. Rev. B 67, 115111 (2003)
    • M. Rohlfing
      Self-Trapping of the Si(111)-(2x1) Surface Exciton
      in ''High Performance Computing in Science and Engineering 2002'', edited by E. Krause and W. Jaeger (Springer, Berlin 2003), p. 194

    2002

    • J. Pollmann, P. Krüger, A. Mazur, and M. Rohlfing
      Electrons, Phonons and Excitons at Semiconductor Surfaces
      in Advances in Solid State Physics 42, 189 (2002)
    • C. Kreis, S. Werth, R. Adelung, L. Kipp, M. Skibowski, D. Voß, P. Krüger, A. Mazur, and J. Pollmann
      Surface resonances at transition metal dichalcogenide heterostructures
      Phys. Rev. B 65, 153314 (2002)
    • C. Kentsch, M. Kutschera, M. Weinelt, T. Fauster, and M. Rohlfing
      Electronic structure of Si(100) surfaces studied by two-photon photoemission
      Phys. Rev. B 65, 035323 (2002)
    • M. Rohlfing
      The role of the geometric structure for electronic excitations of molecules and surfaces
      in ''High Performance Computing in Science and Engineering 2001'', edited by E. Krause and W. Jaeger (Springer, Berlin 2002), p. 189

    2001

    • K. Rossnagel, O. Seifarth, L. Kipp, M. Skibowski, D. Voß, P. Krüger, A. Mazur and J. Pollmann
      Fermi surface of 2H-NbSe2 and its implications on the charge-density-wave-mechanism
      Phys. Rev. B 64, 235119 (2001)
    • T. Böker, R. Severin, A. Müller, C. Janowitz, R. Manzke, D. Voß, P. Krüger, A. Mazur and J. Pollmann
      Band structures of MoS2, MoSe2, and MoTe2: Angular resolved photoelectron spectroscopy in the constant-final-state mode and ab-initio calculations
      Phys. Rev. B 64, 235305 (2001)
    • V. N. Strocov, A. Charrier, J.-M. Themlin, M. Rohlfing, R. Claessen, N. Barrett, J. Avila, J. Sanchez, and M.-C. Ascensio
      Photoemission from graphite: Intrinsic and self-energy effects
      Phys. Rev. B 64, 075105 (2001)
    • M. Rohlfing
      Excited states of semiconductors and molecules
      in ''High Performance Computing in Science and Engineering 2000'', edited by E. Krause and W. Jaeger (Springer, Berlin 2001), p. 174
    • M.L. Tiago, E.K. Chang, M. Rohlfing, and S.G. Louie
      Ab initio study of optical absorption spectra of semiconductors and conjugated polymers
      in ''Proceedings of the 25th International Conference on the Physics of Semiconductors'', ed. by N. Miura and T. Ando (Springer, Heidelberg 2001, ISBN: 3540417788), vol. I, p. 79
    • R. Kucharczyk, U. Freking, P. Krüger and J. Pollmann
      Electronic properties of AlGaAs-based biperiodic superlattices via pseudopotential calculation
      Surf. Sci. 482-485, 612 (2001)
    • M. Rohlfing, M.L. Tiago, and S.G. Louie
      First-principles calculation of optical absorption spectra in conjugatedpolymers: Role of electron-hole interaction
      Synthetic Metals 116, 101 (2001)
    • J. C. Grossman, M. Rohlfing, L. Mitas, S. G. Louie, and M. L. Cohen
      High Accuracy Many-Body Calculational Approaches for Excitations in Molecules
      Phys. Rev. Lett. 86, 472 (2001)
    • K. Rossnagel, L. Kipp, M. Skibowski, C. Solterbeck, T. Strasser, W. Schattke, D. Voß, P. Krüger, A. Mazur and J. Pollmann
      Three-dimensional Fermi surface determination by ARPES
      Phys. Rev. B 63, 125104 (2001)

    2000

    • E.K. Chang, M. Rohlfing, and S.G. Louie
      First-principles study of optical excitations in alpha-quartz
      in: Volume 579 of the MRS Symposium Proceedings Series: The Optical Properties of Materials, edited by J.R. Chelikowsky, S.G. Louie, G. Martinez, and E.L. Shirley (Proceedings of the MRS 1999 Fall Meeting, Boston), p. 3
    • J. Pollmann and P. Krüger
      Electronic Structure of Semiconductor Surfaces, Chapter 2
      in Handbook of Surface Science, Elsevier Science B.V. (2000), pp. 96-208
    • M. Rohlfing
      Excitons in low-dimensional systems: Conjugated polymers and semiconductor surfaces
      in: Volume 579 of the MRS Symposium Proceedings Series: The Optical Properties of Materials, edited by J.R. Chelikowsky, S.G. Louie, G. Martinez, and E.L. Shirley (Proceedings of the MRS 1999 Fall Meeting, Boston), p. 47
    • V. N. Strocov, P. Blaha, H. I. Starnberg, M. Rohlfing, R. Claessen, J.-M. Debever, and J.-M. Themlin
      Three-dimensional unoccupied band structure of graphite: very-low-energyelectron diffraction and band calculations
      Phys. Rev. B 61, 4994 (2000)
    • M. Rohlfing and J. Pollmann
      Calculation of the U Parameter of the Mott-Hubbard Insulator 6H-SiC(0001)-(sqrt(3) x sqrt(3))
      Phys. Rev. Lett. 84, 135 (2000)
    • W. Lu, P. Krüger, and J. Pollmann
      Atomic and electronic structure of silicate adlayers on polar hexagonal SiC surfaces
      Phys. Rev. B 61, 13737 (2000)
    • C. Stampfl, C.G. Van de Walle, D. Vogel, P. Krüger and J. Pollmann
      Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials
      Phys. Rev. B 61, R7846 (2000)

    1999

    • M. Rohlfing and S. G. Louie
      Quasiparticle and optical excitations in solids and clusters
      in: Electron Correlations and Materials Properties, edited by A. Gonis, N. Kioussis und M. Ciftan (Kluwer Academic/Plenum, New York, 1999), p. 309
    • D. Voß, P. Krüger, A. Mazur and J. Pollmann
      Atomic and electronic structure of bulk and thin film WSe2 systems from ab-initio theory
      Phys. Rev. B 60, 14311 (1999)

    1998

    • J. Neuhausen, V. Evstafiev, E. Finckh, W. Tremel, L. Augustin, H. Fuchs, D. Voß, P. Krüger, A. Mazur and J. Pollmann
      Scanning Probe Microscopy Study of the Metal-Rich Layered Chalcogenides TaM2Te2 (M = Co, Ni)
      Chemistry of Materials 10, 3870 (1998)
    • D. Vogel, P. Krüger and J. Pollmann
      Ab initio electronic structure of silver halides calculated with self-interaction and relaxation-corrected pseudopotentials
      Phys. Rev. B 58, 3865 (1998)
    • P. Cervantes, Q. Williams, M. Cote, M. Rohlfing, M. L. Cohen, and S. G. Louie
      Band structures of CsCl-structured BaS and CaSe at high pressure
      Phys. Rev. B 58, 9793 (1998)
    • M. Rohlfing, P. Krüger, and J. Pollmann
      Role of semicore d electrons in quasiparticle band-structure calculations
      Phys. Rev. B 57, 6485 (1998)
    • K. Würde, P. Krüger, A. Mazur and J. Pollmann
      First-principles investigations of the atomic and electronic structure of Pb, Sn and Ge adsorbed on the Ge(111)-() surface
      Surface Review & Letters 5, 105 (1998)
    • M. Sabisch, P. Krüger, A. Mazur and J. Pollmann
      Structure of 6H-SiC(0001) surfaces from ab-initio calculations
      Surface Review & Letters 5, 1999 (1998)
    • D. Vogel, P. Krüger, and J. Pollmann
      New pseudopotentials for II-Vi semiconductors, in 'Physics of Semiconductors'
      edited by M. Scheffler and R. Zimmermann
    • M. Sabisch, P. Krüger, A. Mazur, and J. Pollmann
      Electronic structure of 6H-SiC(0001) surfaces in 'Physics of Semiconductors'
      edited by M. Scheffler and R. Zimmermann
    • P. Krüger and J. Pollmann
      Initial stages of carbon adsorption at the H:C(001) surface, in 'Physics of Semiconductors'
      edited by M. Scheffler and R. Zimmermann

    1997

    • M. Sabisch, P. Krüger and J. Pollmann
      Ab initio calculations of structural and electronic properties of 6H-SiC(0001) surfaces
      Phys. Rev. B 55, 10561 (1997)

    1996

    • M. Rohlfing, P. Krüger, and J. Pollmann
      Quasiparticle calculations for bulk semiconductors and their surfaces
      in: Proceedings of the 23rd International Conference on the Physics of Semiconductors, edited by M. Scheffler and R. Zimmermann (World Scientific, Singapore 1996), p. 297
    • M. Rohlfing, P. Krüger, and J. Pollmann
      Quasiparticle band structures of clean, hydrogen- and sulfur-terminated Ge(001) ssurfaces
      Phys. Rev. B 54, 13759 (1996)
    • D. Vogel, P. Krüger and J. Pollmann
      Self-interaction and relaxation-corrected pseudopotentials for II-VI semiconductors
      Phys. Rev. B 54, 5495 (1996)
    • J. Pollmann, P. Krüger, M. Rohlfing, M. Sabisch, and D. Vogel
      Ab-initio calculations of structural and electronic properties of prototype surfaces of group IV, III-V and II-VI semiconductors
      Appl. Surf. Sci. 104/105, 1 (1996)
    • M. Sabisch, P. Krüger, A. Mazur, M. Rohlfing, and J. Pollmann
      First-principles calculations of beta-SiC(001) surfaces
      Phys. Rev. B 53, 13121 (1996)

    1995

    • D. Vogel, P. Krüger and J. Pollmann
      Ab Initio Electronic Structure Calculations for II-VI Semiconductors Using Self-Interaction-Correlated Pseudopotentials
      Phys. Rev. B 52, R14316 (1995)
    • M. Rohlfing, P. Krüger, and J. Pollmann
      Efficient scheme for GW quasiparticle band-structure calculations with applications to bulk Si and to the Si(001)-(2x1) surface
      Phys. Rev. B 52, 1905 (1995)
    • M. Sabisch, P. Krüger and J. Pollmann
      Ab initio calculations of SiC(110) and GaAs(001) surfaces: A comparative study and the role of ionicity
      Phys. Rev. B 51, 13367 (1995)

    1994

    • P. Schröer, P. Krüger and J. Pollmann
      Self-consistent electronic-structure calculations of the (1010) surfaces of the wurtzite compounds ZnO and CdS
      Phys. Rev. B 49, 17092 (1994)
    • P. Schröer, P. Krüger, and J. Pollmann
      First-Principles Atomic and Electronic Structure Calculations of the ZnO Surface
      Proceedings of ICFSI-4, World Scientific, Singapore, 1994, p. 85
    • P. Krüger and J. Pollmann
      Dimer Formation and Electronic Properties of ordered Adlayers at Si(001): Results From Local Density Theory
      Proceedings of the 4th International Conference on the Formation of Semiconductor Interfaces (ICFSI-4), ed. by B. Lengeler, H. Wüth, W. Mönch and J. Pollmann, World Scientific, Singapore, 1994, p. 108

    1993

    • P. Schröer, P. Krüger, and J. Pollmann
      Ab initio calculations of the electronic structure of the wurtzite compounds CdS and CdSe
      Phys. Rev. B 48, 18264 (1993)
    • M. Rohlfing, P. Krüger, and J. Pollmann
      Quasiparticle band-structure calculations for C, Si, Ge, GaAs, and SiC using Gaussian-orbital basis sets
      Phys. Rev. B 48, 17791 (1993)
    • P. Schröer, P. Krüger, and J. Pollmann
      First-Principles Calculation on the Electronic Structure of the Wurtzite Semiconductors ZnO and ZnS
      Phys. Rev. B 47, 6971 (1993)

    1992


    1991

    • P. Krüger
      On the Theory of Adsorption on Semiconductor Substrates
      Festkörperprobleme/Advances in Solid State Physics, Vol. 31, ed. by U. Rössler (Vieweg Braunschweigt 1991), p. 133

    1990

    • P. Krüger and J. Pollmann
      Selfconsistent Surface Electronic Structure for Semi-Infinite Semiconductors from Scattering Theory
      Physica B 172, 155 (1991)
    • E. Landemark, L.S.O. Johnson, C.J. Karlsson, R.I.G. Uhrberg, P. Krüger and J. Pollmann
      Surface electronic structure of clean Ge(001)-(2x1): Experiment and Theory
      Surface Science Letters 236, L359 (1990)
    • P. Krüger and J. Pollmann
      Absorption of Sulfur on Ge(001): First-Principles Calculation of Structural and Electronic Properties
      Vacuum 41, 638 (1990)
    • J. Pollmann and P. Krüger
      Total Energy and Electronic Structure of S:Ge(001) and Se:Ge(001)
      Proceedings of the 20th Int. Conf. on the Physics of Semiconductors, Thessaloniki, World Scientific (1990), p. 91

    1989

    • P. Krüger and J. Pollmann
      Scattering-theoretical method for semiconductor surfaces: Selfconsistent formulation and application to Si(001)-(2x1)
      Phys. Rev. B 38, 10578 (1988)
    • J. Pollmann, P. Krüger, and M. Mazur
      Self-Consistent electronic structure of semi-infinite Si(001)-(2x1) and Ge(001)-(2x1) with model calculations for scanning tunneling microscopy
      Journal of Vacuum Science Technology B5, 945 (1987)
    • J. Pollmann, R. Kalla, P. Krüger, A. Mazur, and G. Wolfgarten
      Atomic, Electronic, and Vibronic Structure of Semiconductor Surfaces
      Applied Physics A 41, 21 (1986)
    • J. Pollmann and P. Krüger
      Selfconsistent Electronic Structure of Semiinfinite Ge(001)-(2x1)
      Proceedings of the 18th Int. Conf. on the Physics of Semiconductors, Stockholm, ed. by O. Engström (World Scientific, Singapore, 1986), p. 81
    • P. Krüger, A. Mazur, J. Pollmann, and G. Wolfgarten
      First-Principles Electronic Structure Theory for Semi-infinite Semiconductors with Applications to Ge(001)-(2x1)
      Phys. Rev. Lett. 57, 1468 (1986)
    • J. Pollmann, P. Krüger, A. Mazur, and G. Wolfgarten
      Electronic Properties of semiconductor surfaces and interfaces: Selected results from Green functions studies
      Surface Science 152/153, 977 (1985)
    • P. Krüger and J. Pollmann
      Ge-GaAs Heterostructures: From Chemisorption to Heterojunction Interface Formation
      Journal of Vacuum Science Technology B2, 415 (1984)
    • J. Beyer, P. Krüger, A. Mazur, J. Pollmann, and M. Schmeits
      Vacancies and hydorgen adsorption at GaAs(110): Theoretical model studies of the electronic structure
      Journal of Vacuum Science Technology 21, 358 (1982)