Publications of Michael Methfessel

Alouani, M., R.C. Albers and M. Methfessel: Calculated elastic constants and structural properties of Mo and MoSi_2. Physical Review B 43, 6500–6509 (1991).

Kunc, K., R. Zeyher, A.I. Liechtenstein and M. Methfessel: Ab-initio calculation of the charge and lattice modulation in BaBiO_3. Solid State Communications 80, 325–329 (1991).

Liechtenstein, A.I., I.I. Mazin, C.O. Rodriguez, O. Jepsen, O.K. Andersen and M. Methfessel: Structural phase diagram and electron-phonon interaction in Ba_1-xK_xBIO_3. Physical Review B 44, 5388–5391 (1991).

Methfessel, M., D. Hennig, S. Weber and M. Scheffler: Ab-initio calculation of the effect of d-band occupation on the relaxation of transition metal surfaces. Proc. 75th We-Heraeus-Seminar and 21st Annual Internat. Symposium on Electronic Structure of Solids 174–176 (1991).

Methfessel, M. and M. Scheffler: Full-potential LMTO calculations for atomic relaxations at semiconductor-semiconductor interfaces. Physica B 172, 175–183 (1991).

Paxton, A.T., P. Gumbsch and M. Methfessel: A quantum-mechanical calculation of the theoretical strength of metals. Philosophical Magazine Letters 63, 267–274 (1991).

Peduto, P.R., S. Frota-Pessôa and M. Methfessel: First-principles LMTO-ASA calculations in real space. Physical Review B 44, 13283–13290 (1991).

Paxton, A.T., M. Methfessel and H.M. Polatoglou: Structural Energy-Volume Relations in First-Row Transition Metals. Physical Review B 41 (12), 8127–8138 (1990).

Polatoglou, H.M. and M. Methfessel: Comparison of the Harris and the Hohenberg-Kohn-Sham Functionals for Calculation of Structural and Vibrational Properties of Solids. Physical Review B 41 (9), 5898–5903 (1990).

Methfessel, M. and S. Frota-Pessôa: Real-space method for calculation of the electric field gradient: comparison with k-space results. Journal of Physics: Condensed Matter 2 (1), 149–158 (1990).

Bose, S.K., J. Kudrnovsky, M. van Schilfgaarde, P. Blöchl, O. Jepsen, M. Methfessel, A.T. Paxton and O.K. Andersen: Electronic Structure of Ordered and Disordered Pd_3 Fe. J. of Magnetism and Magnetic Materials 87, 97–105 (1990).

Methfessel, M., B.K. Agrawal and M. Scheffler: The Influence of Structural Relaxation on the Valence-Band Offset at Semiconductor-Semiconductor Interfaces. Proc. 20th Int. Conf. on the Physics of Semiconductors (ICPS-20) 989–992 (1990).

Rodriguez, C.O., A.I. Liechtenstein, I.I. Mazin, O. Jepsen, O.K. Andersen and M. Methfessel: Optical Near-Zone-Center Phonons and their Interaction with Electrons in YBa_2Cu_3O_7: Results of the Local Density Approximation. Physical Review B 42, 2692–2695 (1990).