Publications of M. Scheffler

Weider, D.; Scheffler, M.; Scherz, U.: Parameter-free calculations of the pressure dependence of impurity levels, entropies and of defect-formation volumes. Mat. Sci. Forum 38-41, pp. 299 - 304 (1989)

Dabrowski, J.; Scheffler, M.: Ab-initio calculations for native point defects in GaAs. Proc. 5th Conf. on Semi-Insulating III-V Materials, pp. 37 - 42 (1988)

Dabrowski, J.; Scheffler, M.: The EL2 defect in GaAs. Proc. 8th Int. School on Defects in Crystals, pp. 425 - 430 (1988)

Dabrowski, J.; Scheffler, M.: Theoretical evidence for an optically inducible structural transition of the isolated As antisite in GaAs: Identification and explanation of EL2. Physical Review Letters 60, pp. 2183 - 2186 (1988)

Máca, F.; Scheffler, M.: Calculation of electronic structure for a crystal surface or interface. Proc. 4th Symposium on Surface Physics, pp. 221 - 224 (1988)

Máca, F.; Scheffler, M.: Surface Green's function for a rumpled crystal surface. Comput. Phys. Commun. 51, pp. 381 - 390 (1988)

Said, M.; Máca, F.; Kambe, K.; Scheffler, M.; Christensen, N. E.: Electronic structure of fcc and bcc close-packed silver surfaces. Physical Review B 38, pp. 8505 - 8507 (1988)

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)