Lattice dynamics of α uranium

被引：48
作者：
Bouchet, J. [1 ]
机构：
[1] DPTA, CEA DAM, Bruyeres Le Chatel, France
来源：
PHYSICAL REVIEW B | 2008年 / 77卷 / 02期
关键词：
D O I：
10.1103/PhysRevB.77.024113
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The lattice dynamics of alpha uranium have been known for almost 30 years but until now no theory has been able to successfully reproduce these experimental data. In this paper, we present the ab initio phonon spectrum of alpha-U. We compare the 0 K calculated spectrum with the neutron-scattering data obtained at room temperature and pay particular attention to its anomalies. We then predict the behavior of lattice dynamics of uranium as a function of pressure. Using interatomic force constants derived from our calculations, we confirm that a charge density wave state is formed at low temperature in a uranium metal.
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