Dresden 2011 – scientific programme

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MA: Fachverband Magnetismus

MA 20: Electron Theory of Magnetism

MA 20.7: Talk

Tuesday, March 15, 2011, 12:30–12:45, HSZ 103

Ground state properties that can be derived from total energy calculations — •Liviu Chioncel — Augsburg Center for Innovative Technologies, University of Augsburg, Germany

The temperature dependence of elastic constants for simple transition metal elements has been calculated using a combined first-principles and many-body theory. The thermal expansion has a normal linearly decreasing contribution to the elastic constant, while the electronic contribution is determined by the unique character of Coulomb correlations and may lead to anomalous temperature effects.