The NOMAD Laboratory
Novel Materials Discovery at the FHI of the Max-Planck-Gesellschaft
and IRIS-Adlershof of the Humboldt-Universität zu Berlin
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Publications of the NOMAD Laboratory
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1991
Articles
- 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 - 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 - A. Dohmeier,
"Einfluss externer Störpotentiale auf die chemisorptive Bindung von Kohlenmonoxid mit der Kupfer(110)-Oberfläche im Clustermodell" (Diploma Thesis, FU Berlin 1991). - M.W. Finnis,
"The interaction of a point charge with an aluminium (111) surface", Surf. Sci. 241, 61-72 (1991). - X. Gonze, R. Stumpf, and M. Scheffler,
"Analysis of fully separable potentials", Phys. Rev. B 44, 8503-8513 (1991).
Reprint download: pdf - 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. - 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. - 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. - 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 - 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). - 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). - 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 - 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 - 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. - M. Methfessel and M. Scheffler,
"Full-potential LMTO calculations for atomic relaxations at semiconductor-semiconductor interfaces", Physica B 172, 175-183 (1991). - C. Meyer,
"Clustermodelle zur Wechselwirkung des Methoxy-Radikals mit der Kupfer(111)-Oberfläche" (Diploma Thesis, FU Berlin 1991). - 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 - 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). - 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 - 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 - 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
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