Publications in 1990

Articles

  1. F. Beeler, O.K. Andersen, and M. Scheffler, M.,
    " Electronic and Magnetic Structure of 3d-Transition-Metal Point Defects in Silicon Calculated from First Principles", Phys. Rev. B 41, 1603-1624 (1990).
    Reprint download: pdf
  2. S. Biernacki and M. Scheffler.
    "First-principles calculations of thermodynamic potentials of perfect-crystal semiconductors and for defects in semiconductors". In: Proc. 4th Brazilian School of Semiconductor Physics. (Eds.) A.S. Chaves, A.G. de Oliveira, and C.E.T. Gonzalves da Silva. World Scientific, Singapore 1990, 188-198.
  3. S.K. Bose, J. Kudrnovsky, M. van Schilfgaarde, P. Blöchl, O. Jepsen, M. Methfessel, A.T. Paxton, and O.K. Andersen,
    " Electronic Structure of Ordered and Disordered Pd3Fe", J. of Magnetism and Magnetic Materials 87, 97-105 (1990).
  4. A.M. Bradshaw, K. Hermann, and D.P. Woodruff (Eds.),
    "Selected Proceedings of the 7th International Conference on Solid Surfaces (ICSS-7)", Köln 1989, Vacuum 41 (1990).
  5. M.J. Caldas, J. Dabrowski, A. Fazzio, and M. Scheffler,
    "Anion-Antisite-like Defects in III-V Compounds", In: Proc. Int. Conf. on the Physics of Semiconductors, ICPS-20, Thessaloniki, Greece, August 1990, Eds. E.M. Anastassakis and J.D. Joannopoulos, World Scientific, Singapore 1990, 469-472.
  6. M.J. Caldas, J. Dabrowski, A. Fazzio, and M. Scheffler,
    "Anion-Antisite-like Defects in III-V Compounds", Phys. Rev. Lett. 65, 2046-2049 (1990).
    Reprint download: pdf
  7. M.J. Caldas, A. Fazzio, J. Dabrowski, and M. Scheffler,
    " Anion-Antisite Defects in GaAs: As and Sb", In: Internat. Journal of Quantum Chemistry: Quantum Chemistry Symposium 24, 563-567 (1990).
  8. J. Dabrowski, M. Scheffler, and R. Strehlow,
    " Silicon Donor in Gallium Arsenide and its Relation to DX Centers", In: Proc. Int. Conf. on the Physics of Semiconductors, ICPS-20, Thessaloniki, Greece, August 1990, Eds. E.M. Anastassakis and J.D. Joannopoulos, World Scientific, Singapore 1990, 489-492.
  9. G. Doyen, E. Koetter, J. Barth, and D. Drakova,
    " Theory of Tunneling from Transition Metal Tips", In: Scanning Tunneling Microspocy and Related Methods, Eds. R.J. Behm, H. Rohrer, and N. Garcia, Kluwer Academic Publishers, Amsterdam 1990, 97-111.
  10. G. Doyen, E. Koetter, J.P. Vigneron, and M. Scheffler,
    " Theory of Scanning Tunneling Microscopy", Appl. Phys. A 51, 281-288 (1990).
  11. D. Drakova and G. Doyen,
    " CO Adsorption on Metal Surfaces - Model Hamiltonian Study", Surf. Sci. 226, 263-285 (1990).
  12. A. Fleszar and X. Gonze,
    " First-Principles Thermodynamical Properties of Semiconductors", Phys. Rev. Lett. 64, 2961 (1990).
    Reprint download: pdf
  13. X. Gonze, P. Käckell, and M. Scheffler,
    " Ghost States for Separable, Norm-Conserving, Ab-Initio Pseudopotentials", Phys. Rev. B 41, 12264-12267 (1990).
    Reprint download: pdf
  14. B. Gumhalter, K. Hermann, and K. Wandelt,
    " Lateral Surface Stark Effect in Chemisorbed Molecules", Vacuum 41, 192-194 (1990).
  15. B. Gumhalter, K. Hermann, and K. Wandelt,
    " Lateral Surface Stark Effect in Chemisorbed Molecules", In: Selected Studies of Adsorption on Metal and Semiconductor Surfaces, Scientific Series of the International Bureau, Forschungszentrum Jülich GmbH; Eds. B. Gumhalter, M. Milun, K. Wandelt, ISBN 3-89336-034-4, 291-297 (1990).
  16. J. Hebenstreit, M. Heinemann, and M.Scheffler,
    " Calculated Surface Geometries, Photothresholds, and Schottky-Barrier Heights for Alkalis Adsorbed on GaAs(110)", In: Proc. Int. Conf. on the Physics of Semiconductors, ICPS-20, Thessaloniki, Greece, August 1990, Eds. E.M. Anastassakis and J.D. Joannopoulos, World Scientific, Singapore 1990, 215-218.
  17. J. Hebenstreit, M. Heinemann, and M. Scheffler,
    " Calculated Surface Geometries and Electronic Structures for Clean and Sodium Covered GaAs(110) Surfaces", In: Extended Abstract 21, Electronic, Optical and Device Properties of Layered Structures, Eds. J.R. Hayes, M.S. Hybertsen, and E.R. Weber, Materials Research Society, Pittsburgh 1990, 71-75.
  18. K. Hermann,
    " Computer Based Visualization of Channelling Directions at Single Crystal Surfaces", Vacuum 41, 346-348 (1990).
  19. K. Hermann, L. Müller, M. von Rekowski und G. Wiesner,
    " PARALLEL-FORTRAN auf Transputern: Spracheigenschaften und Tests", HMI-Bericht, HMI-B 478, 1-33 (1990).
  20. A. Lock, G. Witte und K. Hermann,
    " Forschungsfilm "Phonons at Surfaces"" (Computer-Videoanimation), zusammen mit ART+COM (W. Krüger und U. Weinberg), Berlin 1990.
  21. F. Máca, M. Said, K. Kambe, and M. Scheffler,
    " Electronic Structure and Angular Resolved Photoemission Calculations for fcc and bcc Silver Surfaces", Vacuum 41, 538-542 (1990).
  22. M. Methfessel, B.K. Agrawal, and M. Scheffler,
    " The Influence of Structural Relaxation on the Valence-Band Offset at Semiconductor-Semiconductor Interfaces", In: Proc. Int. Conf. on the Physics of Semiconductors, ICPS-20, Thessaloniki, Greece, August 1990, Eds. E.M. Anastassakis and J.D. Joannopoulos, World Scientific, Singapore 1990, 989-992.
  23. M. Methfessel and S. Frota-Pessôa,
    " Real-Space Method for Calculation of the Electric Field Gradient: Comparison with k-Space Results", J. Phys.: Condens. Matter 2, 149-158 (1990).
  24. A.T. Paxton, M. Methfessel, and H.M. Polatoglou,
    " Structural Energy-Volume Relations in First-Row Transition Metals", Phys. Rev. B 41, 8127-8138 (1990).
    Reprint download: pdf
  25. H.M. Polatoglou and M. Methfessel,
    " Comparison of the Harris and the Hohenberg-Kohn-Sham Functionals for Calculation of Structural and Vibrational Properties of Solids", Phys. Rev. B 41, 5898-5903 (1990).
    Reprint download: pdf
  26. A. Preusser,
    " Remarks about Bivariate Piecewise Polynomial Interpolation on Triangles", NAGUA NEWS, The Newsletter of the NAG Users Association 4, 9-12 (1990).
  27. A. Preusser,
    " ALGORITHM 684: C1- and C2-Interpolation on Triangles with Quintic and Nonic Bivariate Polynomials", ACM Trans. on Mathematical Software 16, 253-257 (1990).
  28. A. Preusser,
    " Efficient Formulation of a Bivariate Nonic C2-Hermite Polynomial on Triangles", ACM Trans. on Mathematical Software 16, 246-252 (1990).
  29. C.O. Rodriguez, A.I. Liechtenstein, I.I. Mazin, O. Jepsen, O.K. Andersen, and M. Methfessel,
    " Optical Near-Zone-Center Phonons and their Interaction with Electrons in YBa2Cu3O7: Results of the Local Density Approximation", Phys. Rev. B 42, 2692-2695 (1990).
    Reprint download: pdf
  30. J.P. Vigneron, M. Scheffler, Th. Laloyaux, I. Derycke, and A.A. Lucas,
    " Spatial Electron Current Distribution in a Scanning Tunneling Microscope", Vacuum 41, 745-746 (1990).

Diploma Theses

  1. G. Barzel,
    " Die Berechnung der elektronischen Struktur von Metall-Adsorbatsystemen" (TU Berlin 1990).
  2. S. Weber,
    " Berechnungen von Oberflächenrelaxationen bei Übergangsmetallen" (FU Berlin 1990).

Ph.D. Theses

  1. F.Ch. Droste,
    " Theoretische Beschreibung der elektronischen Struktur von Störstellen an Metalloberflächen" (TU Berlin 1990).

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