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Ab initio phonon calculations in solids

Pavone, P.
•
Bauer, R.
•
Karch, K.
altro
De Gironcoli, S.
1996
  • journal article

Periodico
PHYSICA. B, CONDENSED MATTER
Abstract
We present some applications of a first-principles approach to the study of the vibrational properties of crystals. The ab initio lattice dynamics is studied by means of a perturbative approach to the density-functional theory. The validity of this method is investigated performing the calculation of the phonon frequencies of crystals with different structure and bonding properties. The results obtained are in excellent agreement with the available experimental data.
DOI
10.1016/0921-4526(95)00771-7
WOS
WOS:A1996UL19600142
Archivio
http://hdl.handle.net/20.500.11767/16523
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-13544251783
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  • Settore FIS/03 - Fisi...

Scopus© citazioni
38
Data di acquisizione
Jun 7, 2022
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Web of Science© citazioni
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Data di acquisizione
Mar 22, 2024
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Data di acquisizione
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