Anharmonic model of instability evolution near the bcc→hcp phase transition in Zr

被引：13

作者：

Ostanin, SA ^{[1
]}

Salamatov, EI ^{[1
]}

Trubitsin, YV ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Physicotech, Izhevsk 426001, Russia

来源：

PHYSICAL REVIEW B | 1998年 / 57卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.57.5002

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A local minimum is observed on the full-potential linear-muffin-tin-orbital curve of total energy versus the amplitude of atomic displacements corresponding to transverse [1 (1) over bar 0] vibrations at the N paint of the Brillouin zone in Zr. The temperature dependence of the inelastic one-phonon neutron-scattering spectra is calculated within the framework of a modified pseudoharmonic approximation. The appearance of the spectrum fine structure with decreasing temperature is associated with the intermediate phase phonon whose frequency is close to that of the a phonon of hcp Zr.

引用

页码：5002 / 5004

页数：3

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