Nonadiabatic generation of coherent phonons

被引：28

作者：

Shinohara, Y. ^{[1
]}

Sato, S. A. ^{[1
]}

Yabana, K. ^{[1
,2
]}

Iwata, J. -I. ^{[3
]}

Otobe, T. ^{[4
]}

Bertsch, G. F. ^{[5
,6
]}

机构：

[1] Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan

[2] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki 3058571, Japan

[3] Univ Tokyo, Sch Engn, Bunkyo Ku, Tokyo 1138656, Japan

[4] Japan Atom Energy Agcy, Adv Photon Res Ctr, Kyoto 6190215, Japan

[5] Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA

[6] Univ Washington, Dept Phys, Seattle, WA 98195 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2012年 / 137卷 / 22期

基金：

美国国家科学基金会;

关键词：

LIGHT-PULSES; THZ PHONONS; REAL-TIME; OSCILLATIONS; SILICON; SPACE; SB; BI;

D O I：

10.1063/1.4739844

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The time-dependent density functional theory (TDDFT) is the leading computationally feasible theory to treat excitations by strong electromagnetic fields. Here the theory is applied to coherent optical phonon generation produced by intense laser pulses. We examine the process in the crystalline semimetal antimony (Sb), where nonadiabatic coupling is very important. This material is of particular interest because it exhibits strong phonon coupling and optical phonons of different symmetries can be observed. The TDDFT is able to account for a number of qualitative features of the observed coherent phonons, despite its unsatisfactory performance on reproducing the observed dielectric functions of Sb. A simple dielectric model for nonadiabatic coherent phonon generation is also examined and compared with the TDDFT calculations. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739844]

引用

页数：8

共 24 条

[1] ABINITIO CALCULATION OF THE LOW-FREQUENCY RAMAN CROSS-SECTION IN SILICON [J].