Publications of Michael Methfessel

Fiorentini, V., M. Methfessel and M. Scheffler: Surface stress, relaxation and reconstruction in fcc transition metals. Vuoto XXIV, 21–24 (1995).

Methfessel, M., D. Hennig and M. Scheffler: Enhanced screening of core holes at transition-metal surfaces. Surface Review and Letters 2, 197–201 (1995).

Fiorentini, V., M. Methfessel and M. Scheffler: Electronic and structural properties of GaN by the full-potential linear muffin-tin orbitals method: The role of the d electrons. Physical Review B 47 (20), 13353–13362 (1993).

Hennig, D., M. Methfessel and M. Scheffler: Ab-initio calculation of the initial- and final-state effects on core-level shifts at transition metal surfaces. International Journal of Modern Physics B 7 (1-3), 542–545 (1993).

Hennig, D., S. Wilke, R. Löber and M. Methfessel: The adsorption of hydrogen on Pd(100) and Rh(100) surfaces: a comparative theoretical study. Surface Science 287-288 (1), 89–93 (1993).

Kraft, T., M. Methfessel, M. van Schilfgaarde and M. Scheffler: Elastic properties of strained fcc and hcp iron. International Journal of Modern Physics B 7 (1-3), 207–211 (1993).

Kraft, T., M. Methfessel, M. van Schilfgaarde and M. Scheffler: Effect of substrate-imposed strain on the growth of metallic overlayers calculated for fcc and hcp iron. Physical Review B 47 (15), 9862–9869 (1993).

Methfessel, M., D. Hennig and M. Scheffler: Ab-initio calculations of the initial- and final-state effects on the surface core-level shift of transition metals. Surface Science 287/288 (2), 785–788 (1993).

Methfessel, M. and M. van Schilfgaarde: Ab-initio molecular dynamics in the full-potential LMTO method: Derivation of a practical force theorem. International Journal of Modern Physics B 7 (1-3), 262–265 (1993).

Methfessel, M. and M. van Schilfgaarde: Derivation of force theorems in density-functional theory: Application to the full-potential LMTO method. Physical Review B 48 (7), 4937–4940 (1993).

Methfessel, M., M. van Schilfgaarde and M. Scheffler: Electronic structure and bonding in the metallocarbohedrene Ti₈C₁₂. Physical Review Letters 70 (1), 29–32 (1993).

Polatoglou, H.M., M. Methfessel and M. Scheffler: Vacancy-formation energies at the (111) surface and in bulk Al, Cu, Ag, and Rh. Physical Review B 48 (3), 1877–1883 (1993).

Sob Min Yan, M., D.E. Luzzi, V. Vitek, G.J. Ackland, M. Methfessel and C.O. Rodriguez: Interatomic forces and atomic structure of grain boundaries in copper-bismuth alloys. Physical Review B 47 (10), 5571–5582 (1993).

Asta, M., D. de Fontaine, M. van Schilfgaarde, M. Sluiter and M. Methfessel: First-principles phase-stability study of fcc alloys in the Ti-Al system. Physical Review B 46 (9), 5055–5072 (1992).

Ernst, F., M.W. Finnis, D. Hofmann, T. Muschik, U. Schönberger, U. Wolf and M. Methfessel: Theoretical prediction and direct observation of the 9R structure in Ag. Physical Review Letters 69 (4), 620–623 (1992).

Methfessel, M., D. Hennig and M. Scheffler: Calculated surface energies of the 4d transition metals: A study of bond-cutting models. Applied Physics A 55, 442–448 (1992).

Methfessel, M., D. Hennig and M. Scheffler: Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals. Physical Review B 46 (8), 4816–4829 (1992).

Rodriguez, C.O. and M. Methfessel: Pressure-induced phase transformations in alkali-metal hydrides calculated using an improved linear-muffin-tin-orbital–atomic-sphere-approximation energy scheme. Physical Review B 45 (1), 90–96 (1992).

Schönberger, U., O.K. Andersen and M. Methfessel: Bonding at metal-ceramic interfaces; ab initio density-functional calculations for Ti and Ag on MgO. Acta Metallurgica et Materialia 40 (Supplement), S1–S10 (1992).

Lambrecht, W.R.L., B. Segall, M. Methfessel and M. van Schilfgaarde: Calculated elastic constants and deformation potentials of cubic SiC. Physical Review B 44, 3685–3694 (1991).