The NOMAD Laboratory

Novel Materials Discovery at the FHI of the Max-Planck-Gesellschaft
and IRIS-Adlershof of the Humboldt-Universit├Ąt zu Berlin


2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001 2000 1999 1998 1997 1996 1995 1994 1993 1992 1991 1990 Before1990



  1. M. Alouani, R.C. Albers, and M. Methfessel,
    "Calculated elastic constants and structural properties of Mo and MoSi2", Phys. Rev. B 43, 6500-6509 (1991).
    Reprint download: pdf
  2. J.L.A. Alves, J. Hebenstreit, and M. Scheffler,
    "Calculated atomic structures and electronic properties of GaP, InP, GaAs and InAs(110) surfaces", Phys Rev. B 44, 6188-6198 (1991).
    Reprint download: pdf
  3. M.W. Finnis,
    "The interaction of a point charge with an aluminium (111) surface", Surf. Sci. 241, 61-72 (1991).
  4. X. Gonze, R. Stumpf, and M. Scheffler,
    "Analysis of fully separable potentials", Phys. Rev. B 44, 8503-8513 (1991).
    Reprint download: pdf
  5. B. Gumhalter, K. Hermann, and K. Wandelt,
    "Lateral surface Stark effect in chemisorbed molecules: CO on metal surfaces", In: Proc. ICSOS-III. The Structure of Surfaces III, Eds. S.Y. Tong, M.A. van Hove, X. Xide, and K. Takayanagi, Springer-Verlag, Berlin 1991, 473-478.
  6. B. Gumhalter, K. Hermann, and K. Wandelt,
    "Lateral surface Stark effect as a promotor for dissociation of chemisorbed CO molecules", Electronic Structure of Solids, Ed. P. Ziesche, Nova Science Publishers, New York 1991, 201.
  7. J. Hebenstreit,
    "Calculated atomic structures and electronic properties of clean and alkali covered GaAs(110) surfaces", In: Festkörperprobleme, Advances in Solid State Physics 31, Ed. U.Rössler, Vieweg, Braunschweig 1991, 165-175.
  8. J. Hebenstreit, M. Heinemann, and M. Scheffler,
    "Atomic and electronic structures of GaAs(110) and their alkali-adsorption-induced changes", Phys. Rev. Lett. 67, 1031-1034 (1991).
    Reprint download: pdf
  9. K. Hermann, B. Gumhalter, and K. Wandelt,
    "Perturbation of the adsorbate electronic structure by local fields at surface defects", Surf. Sci. 251, 1128-1132 (1991).
  10. K. Kunc, R. Zeyher, A.I. Liechtenstein, M. Methfessel, and O.K. Andersen,
    "Ab-initio calculation of the charge and lattice modulation in BaBiO3", Solid State Communications 80, 325-329 (1991).
  11. W.R.L. Lambrecht, B. Segall, M. Methfessel, and M. van Schilfgaarde,
    "Calculated elastic constants and deformation potentials of cubic SiC", Phys. Rev. B 44, 3685-3694 (1991).
    Reprint download: pdf
  12. A.I. Liechtenstein, I.I. Mazin, C.O. Rodriguez, O. Jepsen, O.K. Andersen, and M. Methfessel,
    "Structural phase diagram and electron-phonon interaction in Ba1-xKxBIO3", Phys. Rev. B 44, 5388-5391 (1991).
    Reprint download: pdf
  13. M. Methfessel, D. Hennig, S. Weber, and M. Scheffler,
    "Ab-initio calculation of the effect of d-band occupation on the relaxation of transition metal surfaces", Proc. 75th WE-Heraeus-Seminar and 21st Annual Internat. Symposium on Electronic Structure of Solids, Eds. P. Ziesche and H. Eschrig, Akademie Verlag, Berlin 1991, 174-176.
  14. M. Methfessel and M. Scheffler,
    "Full-potential LMTO calculations for atomic relaxations at semiconductor-semiconductor interfaces", Physica B 172, 175-183 (1991).
  15. H. Overhof, M. Scheffler, and C. M. Weinert,
    "Formation energies, electronic structure, and hyperfine fields of chalcogen point defects and defect pairs in silicon", Phys. Rev. B 43, 12494-12506 (1991).
    Reprint download: pdf
  16. A.T. Paxton, P. Gumbsch, and M. Methfessel,
    "A quantum-mechanical calculation of the theoretical strength of metals", Phil. Mag. Lett. 63, 267-274 (1991).
  17. P.R. Peduto, S. Frota-Pessôa, and M. Methfessel,
    "First-principles LMTO-ASA calculations in real space", Phys. Rev. B 44, 13283-13290 (1991).
    Reprint download: pdf
  18. M. Scheffler, Ch. Droste, A. Fleszar, F. Máca, G. Wachutka, and G. Barzel,
    "A self-consistent surface-Green-function (SSGF) method", Physica B 172, 143-153 (1991).
    Reprint download: pdf
  19. A. Schmalz, S. Aminpirooz, L. Becker, J. Haase, J. Neugebauer, M. Scheffler, D.R. Batchelor, D.L. Adams, and E. Bogh,
    "Unusual chemisorption geometry of Na on Al(111)", Phys. Rev. Lett. 67, 2163-2166 (1991).
    Reprint download: pdf
  20. A. Dohmeier,
    "Einfluss externer Störpotentiale auf die chemisorptive Bindung von Kohlenmonoxid mit der Kupfer(110)-Oberfläche im Clustermodell" (Diploma Thesis, FU Berlin 1991).
  21. C. Meyer,
    "Clustermodelle zur Wechselwirkung des Methoxy-Radikals mit der Kupfer(111)-Oberfläche" (Diploma Thesis, FU Berlin 1991).

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