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
收藏
页码：5002 / 5004
页数：3
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