Publications of M. Scheffler
All genres
Journal Article (600)
1988
Journal Article
M. Scheffler: Thermodynamic aspects of bulk and surface defects - first-principle calculations. Physics of Solid Surfaces 1987 4, 115–122 (1988).
Journal Article
M. Scheffler 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).
Journal Article
, and M. Scheffler: Total-energy calculation for isolated oxygen impurities in silicon. J. Phys. C 21, 841–846 (1988).
1987
Journal Article
, 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).
Journal Article
, , , and M. Scheffler: Electronic structure calculation of point defects in silicon. Comput. Phys. Comm. 44, 297–305 (1987).
Journal Article
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).
Journal Article
M. Scheffler: Lattice relaxations at substitutional impurities in semiconductors. Physica B/C 146, 176–186 (1987).
Journal Article
M. Scheffler, , , and : Parameter-free total-energy and force calculations for defects in semiconductors. Proc. 7th Int. School Defects in Crystals 3–22 (1987).
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and M. Scheffler: Mechanisms of defect pairing in semiconductors: A study for chalcogens in silicon. Physical Review Letters 58, 1456–1459 (1987).
1985
Journal Article
, 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).
Journal Article
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).
Journal Article
, and M. Scheffler: Electronic structure calculation of 3d-transition metal point defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 129 (1985).
Journal Article
, 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).
Journal Article
, M. Scheffler, and : Identifiaction of chalcogen defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 46, 117 (1985).
Journal Article
, M. Scheffler, and : Identification of chalcogen point-defects sites in silicon by total-energy calculations. Physical Review Letters 54, 2525–2528 (1985).
Journal Article
and M. Scheffler: Calculation of the Green's function for a crystal surface or interface. Comput. Phys. Commun. 38, 403–413 (1985).
Journal Article
Journal Article
M. Scheffler, , , , and : Chemical bonding and lattice relaxations of deep-level defects. J. of Electronic Materials 14a, 45–58 (1985).
Journal Article
M. Scheffler, and : Total-energy gradients and lattice distortions at point defects in semiconductors. Physical Review B 31, 6541–6551 (1985).
1984
Journal Article
and M. Scheffler: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, 692–702 (1984).