Publications of M. Scheffler

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).

Meyer, B.K., J.-M. Spaeth and M. Scheffler: Optical properties of As antisite and EL2 defects in GaAs. Physical Review Letters 52, 851–854 (1984).

Scheffler, M., J. Bernholc, N.O. Lipari and S.T. Pantelides: Electronic structure and identification of deep defects in GaP. Physical Review B 29, 3269–3282 (1984).

Pantelides, S.T., I. Ivanov, M. Scheffler and J.P. Vigneron: Multivacancies, interstitials, and self-interstitial migration in Si. Physica B 116, 18–27 (1983).

Vigneron, J.P., M. Scheffler and S.T. Pantelides: Electronic structure of self-interstitials and sp-bonded interstitial impurities in semiconductors. Physica B/C 117/118, 137–139 (1983).