Publications

2000

Articles

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: pdf

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).
   Reprint download: pdf

7. A. Gross and M. Scheffler,
   "Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface". Phys. Rev. B 61, 8425-8432 (2000).
   Reprint download: pdf

8. F. Grosse and J. Neugebauer,
   "Modeling of structural and elastic properties of In_xGa_1-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: pdf

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: pdf

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: pdf

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: pdf

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: pdf

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.