Publications of M. Scheffler

Scheffler, M.: Thermodynamic aspects of bulk and surface defects - first-principle calculations. Physics of Solid Surfaces 1987 4, 115–122 (1988).

Scheffler, M. and J. Dabrowski: Parameter-free calculations of total energies, interatomic forces and vibrational entropies of defects in semiconductors. Philosophical Magazine A 58 (1), 107–121 (1988).

Weinert, C.M., F. Beeler and M. Scheffler: Total-energy calculation for isolated oxygen impurities in silicon. J. Phys. C 21, 841–846 (1988).

Beeler, F., O.K. Andersen and M. Scheffler: Electronic structure calculation of 3d and 4d transition metal point defects in silicon. Proc. 18th Int. Conf. on the Physics of Semiconductors 875–878 (1987).

Beeler, F., O. Jepsen, O.K. Andersen, O. Gunnarsson and M. Scheffler: Electronic structure calculation of point defects in silicon. Comput. Phys. Comm. 44, 297–305 (1987).

Máca, F. and M. Scheffler: A new version of the program for the calculation of the Green's function for a crystal surface or interface. Comput. Phys. Comm. 47, 349–350 (1987).

Scheffler, M.: Lattice relaxations at substitutional impurities in semiconductors. Physica B/C 146, 176–186 (1987).

Scheffler, M., F. Beeler, O.K. Andersen, O. Gunnarsson and O. Jepsen: Parameter-free total-energy and force calculations for defects in semiconductors. Proc. 7th Int. School Defects in Crystals 3–22 (1987).

Weinert, C.M. and M. Scheffler: Mechanisms of defect pairing in semiconductors: A study for chalcogens in silicon. Physical Review Letters 58, 1456–1459 (1987).

Máca, F., M. Scheffler and W. Berndt: The adsorption of sulphur on Pd(111). I: A LEED analysis of the (sqrt{2} x sqrt{3}) R 30° adsorbate structure. Surface scienc 160 (2), 467–474 (1985).

Bachelet, G.B. and M. Scheffler: No large lattice relaxations around the arsenic antisite in GaAs. Proc. 17th Int. Conf. on the Physics of Semiconductors 755–760 (1985).

Beeler, F., O.K. Andersen and M. Scheffler: Electronic structure calculation of 3d-transition metal point defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 129 (1985).

Beeler, F., O.K. Andersen and M. Scheffler: Theoretical evidence for low-spin ground states of early interstitial and late substitutional 3d transition-metal ions in silicon. Physical Review Letters 55, 1498–1501 (1985).

Beeler, F., M. Scheffler, O. Jepsen and O. Gunnarsson: Identifiaction of chalcogen defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 46, 117 (1985).

Beeler, F., M. Scheffler, O. Jepsen and O. Gunnarsson: Identification of chalcogen point-defects sites in silicon by total-energy calculations. Physical Review Letters 54, 2525–2528 (1985).

Máca, F. and M. Scheffler: Calculation of the Green's function for a crystal surface or interface. Comput. Phys. Commun. 38, 403–413 (1985).

Meyer, B.K., J.-M. Spaeth and M. Scheffler: As_Ga-induced dichroism in GaAs. Physical Review Letters 54, 1333–1333 (1985).

Scheffler, M., F. Beeler, O. Jepsen, O. Gunnarsson, O.K. Andersen and G.B. Bachelet: Chemical bonding and lattice relaxations of deep-level defects. J. of Electronic Materials 14a, 45–58 (1985).

Scheffler, M., J.P. Vigneron and G.B. Bachelet: Total-energy gradients and lattice distortions at point defects in semiconductors. Physical Review B 31, 6541–6551 (1985).

Hora, R. and M. Scheffler: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, 692–702 (1984).