Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study

I. Isaev, É.; I. Simak, S.; A. Abrikosov, Igor; Ahuja, Rajeev; Kh. Vekilov, Yu.; I. Katsnelson, M.; I. Lichtenstein, A.; Johansson, B.

doi:10.1063/1.2747230

Public

Phonon related properties of transition metals, their carbides, and nitrides: A first-principles study

Shared by NobleBlocks on Jun 15, 2007 • 12:00 AM UTC

Authors:

É. I. Isaev

S. I. Simak

Igor A. Abrikosov

Abstract

Lattice dynamics of body-centered cubic (bcc) Vb-VIb group transition metals (TM), and B1-type monocarbides and mononitrides of IIIb-VIb transition metals are studied by means of first-principles density functional perturbation theory, ultra soft pseudopotentials, and generalized gradient approximat...

Subject

Phonon

Transition metal

Condensed matter physics

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