Structural phase stability and electron-phonon coupling in lithium
نویسندگان
چکیده
منابع مشابه
Structural Phase Stability and Electron-Phonon Coupling in Lithium
First-principles calculations of the free energy of several structural phases of Li are presented. The densityfunctional linear-response approach is used to calculate the volume-dependent phonon frequencies needed for computing the vibrational free energy within the quasiharmonic approximation. We show that the transformation from a close-packed structure at low temperatures to the bcc phase up...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.59.4028