Structural, Electronic and Dynamical Properties of GeSi: An Ab-initio Study

Details Structural, Electronic and Dynamical Properties of GeSi: An Ab-initio Study Structural, Electronic and Dynamical Properties of GeSi: An Ab-initio Study

Apr 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007aipc..899..655s&link_type=abstract

SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION. AIP Conference Proceedings, Volume 899, pp. 655-655 (2007).

Other

Intermetallic Compounds, Phonon States And Bands, Normal Modes, And Phonon Dispersion, Density Functional Theory, Local Density Approximation, Gradient And Other Corrections

Scientific paper

A theoretical study of electronic and dynamical properties of GeSi is presented using the ab-initio pseudopotential method and a linear response scheme, within the local density approximation. The calculated values for the lattice constant, bulk modulus and its first derivative are in agreement with the previous ab-initio calculations. Phonon dispersion curves were calculated by employing a density functional perturbation theory.

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