Nonthermal solid-to-solid phase transitions in tungsten

被引:44
|
作者
Giret, Yvelin [1 ]
Daraszewicz, Szymon L. [1 ]
Duffy, Dorothy M. [1 ]
Shluger, Alexander L. [1 ]
Tanimura, Katsumi [2 ]
机构
[1] UCL, Dept Phys & Astron, London WC1E 6BT, England
[2] Osaka Univ, ISIR, Ibaraki, Osaka 5670047, Japan
来源
PHYSICAL REVIEW B | 2014年 / 90卷 / 09期
基金
英国工程与自然科学研究理事会;
关键词
INITIO MOLECULAR-DYNAMICS; COHERENT PHONONS; GROUND-STATE; LASER-PULSES; ELECTRON-GAS; METALS; 1ST-PRINCIPLES; INSTABILITIES; DIFFRACTION; EXCITATION;
D O I
10.1103/PhysRevB.90.094103
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The ab initio calculations of phonon dispersions and nonthermal forces along structural deformation paths were used to study nonthermal solid-to-solid phase transitions in photoexcited tungsten. We assumed that electronic excitation can be described by an electronic temperature and demonstrated that nonthermal, i.e., caused purely by electronic excitation, bcc-to-fcc and bcc-to-hcp phase transitions can occur for electronic temperatures between 1.7 and 4.3 eV. These transitions result from soft modes along the Sigma line of the Brillouin zone. Structural path calculations at different electronic temperatures indicate that both transitions are likely to take place in nonequilibrium conditions. We further predict that transient fcc and hcp phases of tungsten could be observed for several ps.
引用
收藏
页数:7
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