Konu "vibrational properties" için listeleme
Toplam kayıt 2, listelenen: 1-2
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Structural phase transition, electronic, elastic, and vibrational properties of LiAl intermetallic compound: insights from first-principles calculations
(CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2017)Using the first-principles calculations based on density functional theory (DFT), the structural, elastic, electronic, and vibrational properties of LiAl have been explored within the generalized gradient approximation ... -
Structural, electronic and vibrational properties of ordered intermetallic alloys CoZ (Z=Al, Be, Sc and Zr) from first-principles total-energy calculations
(TAYLOR & FRANCIS LTD, 2013)Self-consistent band calculations on four intermetallic compounds of the CsCl structure are presented. The calculations were performed employing the self-consistent ultrasoft pseudopotential method based on the density ...
