Publications of M. Scheffler

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

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

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

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

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

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

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

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

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

Máca, F.; Scheffler, M.; Berndt, W.: 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), pp. 467 - 474 (1985)

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

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

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

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

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

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

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

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

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

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