Publications of M. Scheffler

Overhof, H., M. Scheffler and C.M. Weinert: Ab-initio calculations of hyperfine fields for chalcogen point defects and defect pairs in silicon: Identification of the pair atomic structure. Materials Science and Engineering B 4, 315–319 (1989).

Scheffler, M.: Chemical binding, stability and metastability of defects in semiconductors. Festkörperprobleme 29, 231–250 (1989).

Scherz, U., D. Weider and M. Scheffler: Electronic and vibrational properties of deep centers in semiconductors. Egyp. J. Sol. 12, 1 (1989).

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

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

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

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

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

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

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

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).

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).