Elastic constants and phonon frequencies of Si calculated by a fast full-potential linear-muffin-tin-orbital method

1988668 citationsJournal Article

Authors

M. Methfessel · Max Planck Institute for Solid State Research

Abstract

A new approach for including full-potential terms in a linear-muffin-tin-orbital calculation is presented. The implementation for crystals leads to a method which is at the same time fast and accurate. Calculated elastic constants and phonon frequencies for Si agree well with experiment.

Topics & Keywords

Boron and Carbon Nanomaterials Research Semiconductor materials and interfaces Surface and Thin Film Phenomena

Publication Details

Published in: Physical review. B, Condensed matter

Volume 38, Issue 2, pp. 1537-1540

DOI: 10.1103/physrevb.38.1537

Field-Weighted Citation Impact: 6.88

Command Palette

Elastic constants and phonon frequencies of Si calculated by a fast full-potential linear-muffin-tin-orbital method

Authors

Abstract

Topics & Keywords

Publication Details