The NOMAD Laboratory

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




  1. S.R. Barman, C. Stampfl, P. Häberle, and K. Horn,
    "Photon-excited collective modes in a surface alloy". Phys. Rev. B 61, 12721-12724 (2000).
    Reprint download: pdf
  2. H. Chen, R.M. Feenstra, J.E. Northrup, T. Zywietz, J. Neugebauer, and D.W. Greve,
    "Spontaneous formation of indium-rich nanostructures on InGaN(0001) surfaces". Phys. Rev. Lett. 85, 1902-1905 (2000).
    Reprint download: pdf
  3. H. Chen, R.M. Feenstra, J. Northrup, T. Zywietz, J. Neugebauer, and D.W. Greve,
    "Surface structures and growth kinetics of InGaN(0001) grown by molecular beam epitaxy". J. Vac. Sci. Technol. B 18, 2284-2289 (2000).
  4. Ph. Ebert, K. Urban, L. Aballe, C.H. Chen, K. Horn, G. Schwarz, J. Neugebauer, and M. Scheffler,
    "Symmetric versus nonsymmetric structure of the phosphorus vacancy on InP(110)". Phys. Rev. Lett. 84, 5816-5819 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz

  5. R.M. Feenstra, H. Chen, V. Ramachandran, C.D. Lee, A.R. Smith, J.E. Northrup, T. Zywietz, J. Neugebauer, D.W. Greve,
    "Surface morphology of GaN surfaces during molecular beam epitaxy". Surf. Rev. Lett. 7, 601-606 (2000).
  6. K.A. Fichthorn and M. Scheffler,
    "Island nucleation in thin-film epitaxy: A first-principles investigation". Phys. Rev. Lett. 84, 5371-5374 (2000).
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  7. A. Gross and M. Scheffler,
    "Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface". Phys. Rev. B 61, 8425-8432 (2000).
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  8. F. Grosse and J. Neugebauer,
    "Modeling of structural and elastic properties of InxGa1-xN alloys". In: Materials Issues and Modeling for Device Nanofabrication. (Eds.) L. Merhari, L.T. Wille, K. Gonsalves, M.F. Gyure, S. Matsui, L.J. Whitman. Materials Research Society, Warrendale 2000. ISBN: 1-55899-492-0. MRS Symposia Proc. 584, 215-222.
  9. K. Hermann, M. Witko, R. Druzinic, and R. Tokarz,
    "Hydrogen assisted oxygen desorption from the V2O5(010) surface". Topics in Catalysis 11/12, 67-75 (2000).
  10. K. Horn and M. Scheffler (Eds.),
    "Handbook of Surface Science", Vol. 2 (Electronic Structure). Elsevier, Amsterdam 2000, 1058 p.
  11. T. Konishi, K. Morikawa, K. Kobayashi, T. Mizokawa, A. Fujimori, K. Mamiya, F. Iga, H. Kawanaka, Y. Nishihara, A. Delin, and O. Eriksson,
    "Electronic structure of the strongly hybridized ferromagnet CeFe2". Phys. Rev. B 62, 14304-14312 (2000).
    Reprint download: pdf
  12. V.P. LaBella, D.W. Bullock, Z. Ding, C. Emery, P.M. Thibado, P. Kratzer, M. Scheffler,
    "A novel imaging mechanism to determine the atomic structure of the GaAs(001)-(2x4) surface". Omicron Newsletter 4, 4-5 (2000).
  13. S.-H. Lee, W. Moritz, and M. Scheffler,
    "GaAs(001) surface under conditions of low As pressure: Evidence for a novel surface geometry". Phys. Rev. Lett. 85, 3890-3893 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz
  14. J.L. Menendez, G. Armelles, A. Cebollada, D. Weller, and A. Delin,
    "Optical and magneto optical properties of highly distorted Fe(100) thin films". Phys. Rev. B 62, 10498-10503 (2000).
    Reprint download: pdf
  15. J. Neugebauer, T. Zywietz, M. Scheffler, and J. Northrup,
    "Theory of surfaces and interfaces of group-III nitrides". Appl. Surf. Sci. 159-160, 355-359 (2000).
    Reprint download: pdf
  16. J. Northrup, J. Neugebauer, R.M. Feenstra, and A.R. Smith,
    "Structure of GaN(0001): The laterally contracted Ga bilayer model". Phys. Rev. B 61, 9932-9935 (2000).
    Reprint download: pdf
  17. R. Pentcheva and M. Scheffler,
    "Stable and metastable structures of Co on Cu(001): An ab initio study". Phys. Rev. B 61, 2211-2220 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz
  18. M. Petersen, F. Wagner, L. Hufnagel, M. Scheffler, P. Blaha, and K. Schwarz,
    "Improving the efficiency of FP-LAPW calculations". Comp. Phys. Commun. 126, 294-309 (2000).
    Reprint download: pdf
  19. M. Scheffler, P. Kratzer, and L.G. Wang,
    "Ab initio thermodynamics and statistics of semiconductor growth, and self-assembly of quantum dots". In: Proc. 4th Symposium on Atom-Scale Surface and Interface Dynamics, No. 9: JSPS Research for the Future Program "Atom-Scale Surface and Interface Dynamics". Japan Society for the Promotion of Science, March 2000, 3-7.
    Reprint download as: gzipped PostScript. ps.gz
  20. M. Scheffler and C. Stampfl,
    "Theory of adsorption on metal substrates". In: Handbook of Surface Science, Vol. 2: Electronic Structure, (Eds.) K. Horn, M. Scheffler. Elsevier, Amsterdam 2000, 286-356.
    Reprint Link
  21. A. Schindlmayr,
    "Decay properties of the one-particle Green function in real space and imaginary time". Phys. Rev. B 62, 12573-12576 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz
  22. C.G. Van de Walle,
    "Hydrogen as a cause of doping in zinc oxide". Phys. Rev. Lett. 85, 1012-1015 (2000).
    Reprint download: pdf
  23. C.G. Van de Walle and J. Neugebauer:
    "Arsenic impurities in GaN". Appl. Phys. Lett. 76, 1009-1011 (2000).
  24. L.G. Wang, P. Kratzer, and M. Scheffler,
    "Energetics of InAs thin films and islands on the GaAs(001) substrate". Jpn. J. Appl. Phys. 39, 4298-4301 (2000).
  25. L.G. Wang, P. Kratzer, N. Moll, and M. Scheffler,
    "Size, shape, and stability of InAs quantum dots on the GaAs(001) substrate". Phys. Rev. B 62, 1897-1904 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz
  26. X.-G. Wang, A. Chaka, and M. Scheffler,
    "Effect of the environment on alpha-Al2O3 (0001) surface structures". Phys. Rev. Lett. 84, 3650-3653 (2000).
    Reprint download as: PDF and gzipped PostScript. pdf, ps.gz
  27. M. Witko, K. Hermann, R. Tokarz, R. Druzinic, and A. Chakrabarti,
    "Electronic structure of vanadia systems: Systematic theoretical studies". In: Metal-Ligand Interactions in Chemistry, Physics and Biology. NATO ASI Series: Series C, Vol. 546. (Eds.) N. Russo and D.R. Salahub. Kluwer, Dordrecht 2000, 417-438.
  28. J. Xie, S.P. Chen, J. S. Tse, D.D. Klug, Z. Li, K. Uehara, and L.G. Wang,
    "Phonon instabilities in high-pressure bcc-fcc and the isostructural fcc-fcc phase transitions of Cs". Phys. Rev. B 62, 3624-3629 (2000).
    Reprint download: pdf
  29. S. Boeck,
    "Grundlagen der Berechnung von Oberflächenphononen und der thermischen Expansion von Be(0001)." TU Berlin 2000.

  30. Ch. Müller,
    "Adsorption und Diffusion von Sauerstoff auf Aluminium". TU Berlin 2000.

  31. R. Druzinic,
    "Strukturelle und elektronische Eigenschaften von Vanadiumpentoxid: Clustermodell-Untersuchungen". FU Berlin 2000.

  32. R. Pentcheva,
    "Theory of adsorption, diffusion, and growth of cobalt on Cu(001)". FU Berlin 2000.

  33. M. Petersen,
    "Dichtefunktionaltheoretische Untersuchung zur Wechselwirkung von H, He und Ne mit Metalloberflächen". TU Berlin 2000.
  34. T. Zywietz,
    "Dichte-Funktional-Theorie der thermodynamischen und kinetischen Eigenschaften polarer Galliumnitrid-Oberflächen". TU Berlin 2000.