First principles phonon calculations in materials science
Top Cited Papers
Open Access
- 1 November 2015
- journal article
- Published by Elsevier BV in Scripta Materialia
- Vol. 108, 1-5
- https://doi.org/10.1016/j.scriptamat.2015.07.021
Abstract
No abstract availableThis publication has 35 references indexed in Scilit:
- Evolution of crystal structures in metallic elementsPhysical Review B, 2013
- Transition pathway ofcrystals under high pressuresPhysical Review B, 2008
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theoryPhysical Review B, 1997
- Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and GraphiteEurophysics Letters, 1995
- Projector augmented-wave methodPhysical Review B, 1994
- Ab initiostudies on the structural and dynamical properties of icePhysical Review B, 1993
- Ab initiocalculation of phonon dispersions in semiconductorsPhysical Review B, 1991
- High-precision sampling for Brillouin-zone integration in metalsPhysical Review B, 1989
- The Thermal Expansion of Pure Metals: Copper, Gold, Aluminum, Nickel, and IronPhysical Review B, 1941