Publications of Matthias Scheffler

Heinemann, M. and M. Scheffler: Formation energies and abundances of intrinsic point defects at the GaAs/AlAs(100) interface. Applied Surface Science 56-58, 628–631 (1992).

Methfessel, M., D. Hennig and M. Scheffler: Calculated surface energies of the 4d transition metals: A study of bond-cutting models. Applied Physics A 55, 442–448 (1992).

Methfessel, M., D. Hennig and M. Scheffler: Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals. Physical Review B 46 (8), 4816–4829 (1992).

Neugebauer, J. and M. Scheffler: Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111). Physical Review B 46 (24), 16067–16080 (1992).

Stampfl, C., M. Scheffler, H. Over, J. Burchhardt, M. Nielsen, D. Adams and W. Moritz: Identification of stable and metastable adsorption sites for K adsorbed on Al(111). Physical Review Letters 69 (10), 1532–1535 (1992).

Wachutka, G., A. Fleszar, F. Máca and M. Scheffler: Self-consistent Green-function method for the calculation of electronic properties of localized defects at surfaces and in the bulk. Journal of Physics: Condensed Matter 4, 2831–2844 (1992).

Alves, J.L.A., J. Hebenstreit and M. Scheffler: Calculated atomic structures and electronic properties of GaP, InP, GaAs and InAs(110) surfaces. Physical Review B 44 (12), 6188–6198 (1991).

Gonze, X., R. Stumpf and M. Scheffler: Analysis of fully separable potentials. Physical Review B 44, 8503–8513 (1991).

Hebenstreit, J., M. Heinemann and M. Scheffler: Atomic and electronic structures of GaAs(110) and their alkali-adsorption-induced changes. Physical Review Letters 67, 1031–1034 (1991).

Methfessel, M., 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 174–176 (1991).

Methfessel, M. and M. Scheffler: Full-potential LMTO calculations for atomic relaxations at semiconductor-semiconductor interfaces. Physica B 172, 175–183 (1991).

Overhof, H., M. Scheffler and C.C. Weinert: Formation energies, electronic structure, and hyperfine fields of chalcogen point defects and defect pairs in silicon. Physical Review B 43, 12494–12506 (1991).

Scheffler, M., C. Droste, A. Fleszar, F. Máca, G. Wachutka and G. Barzel: A self-consistent surface-Green-function (SSGF) method. Physica B 172, 143–153 (1991).

Schmalz, A., 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). Physical Review Letters 67, 2163–2166 (1991).

Caldas, M.J., J. Dabrowski, A. Fazzio and M. Scheffler: Anion-antisite-like defects in III-V compounds. Physical Review Letters 65 (16), 2046–2049 (1990).

Doyen, G., E. Koetter, J.P. Vigneron and M. Scheffler: Theory of scanning tunneling microscopy. Applied Physics A 51, 281–288 (1990).

Gonze, X., P. Käckell and M. Scheffler: Ghost states for separable, norm-conserving, ab initio pseudopotentials. Physical Review B 41 (17), 12264–12267 (1990).

Beeler, F., O.K. Andersen and M. Scheffler: Electronic and Magnetic Structure of 3d-Transition-Metal Point Defects in Silicon Calculated from First Principles. Physical Review B 41, 1603–1624 (1990).

Biernacki, S. and M. Scheffler: First-principles calculations of thermodynamic potentials of perfect-crystal semiconductors and for defects in semiconductors. Proc. 4th Brazilian School of Semiconductor Physics 188–198 (1990).

Caldas, M.J., J. Dabrowski, A. Fazzio and M. Scheffler: Anion-Antisite-like Defects in III-V Compounds. Proc.20th Int. Conf. on the Physicsof Semiconductors (ICPS-20) 469–472 (1990).