J. Phys. Colloques
Volume 42, Numéro C6, Décembre 1981International Conference on Phonon Physics
|Page(s)||C6-355 - C6-364|
J. Phys. Colloques 42 (1981) C6-355-C6-364
PHONONS IN METALSJ. Ashkenazi1, 2 et M. Dacorogna1
1 Département de Physique de la Matière Condensée, Université de Genève, 24 Quai Ernest-Ansermet, 1211 Genève 4, Switzerland.
2 Physics Department, Technion, Haifa, Israel
By using stationarity properties within the finite temperature density functional approach, it is shown that the calculation of phonons and electron-phonon coupling processes can be based on the coupling between renormalized "bare" phonons and the HRS one-electron system, under the condition that the potential remains "frozen". This explains the success of calculations of phonon anomalies and electron-phonon coupling parameters in transition metals which were based on rigidly moving potentials. The approach is rigorously applied using the LMTO-ASA band method. It is found successful in ab initio calculations of shear moduli in transition metals, and promising for complete phonon and electron-phonon coupling calculations.