<i>Ab initio</i>calculation of phonon dispersions in semiconductors
The density-functional linear-response approach to lattice-dynamical calculations in semiconductors is presented in full detail. As an application, we calculate complete phonon ...
The density-functional linear-response approach to lattice-dynamical calculations in semiconductors is presented in full detail. As an application, we calculate complete phonon ...
We present an ab initio study of the electron-phonon coupling in some monatomic fcc and bcc metals. We employed a linear-response approach based on density-functional theory in ...
We have calculated the bulk-phonon dispersion of the layered semiconductor $\ensuremath{\epsilon}\ensuremath{-}\mathrm{GaSe}$ using ab initio methods. In contrast to previous mo...
We present results of an ab initio calculation of the static and dynamical properties of the chlorine molecular crystal. The equilibrium ground-state properties are evaluated em...
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