Atomic wave function, Slater exchange and phonons in Li

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, , Citation C M Kachhava 1973 J. Phys. F: Met. Phys. 3 571 DOI 10.1088/0305-4608/3/3/015

0305-4608/3/3/571

Abstract

A first principle calculation for frequencies of phonons propagating in three symmetry directions in metallic Li is presented. The ion-electron interaction potential is constructed entirely from the Slater type of atomic core orbitals. The results obtained on the Hartree field and Hartree-Slater potential reveal the importance of core-valence exchange potential to predict the cross-over between longitudinal and transverse phonon branches in the ( zeta 00) direction.

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10.1088/0305-4608/3/3/015