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arXiv 1303.6503cond-mat.str-el
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2 H- NbSe2的光学声子和软模

Optic phonons and the soft mode in 2H-NbSe2

F. Weber, R. Hott, R. Heid, K. -P. Bohnen, S. Rosenkranz, J. -P. Castellan, R. Osborn, A. H. Said B. M. Leu, D. Reznik

摘要:

我们提出了一个调查的晶格动力学的电荷密度波化合物2 H-NbSe 2。我们分析了波矢相关的电子-声子耦合(EPC)的精确性质,并推导出裸色散的电荷密度波(CDW)软声子模式使用非弹性X射线散射结合从头计算。在实验上,研究了在32 meV能量范围内沿Γ - M线的声子模,即q =(h,0,0),其中0 <= h <= 0.5,具有与CDW软模相同的纵向对称性。与我们的计算一致,我们观察到在h <= 0.2的光学模式中的显著EPC。我们分析了EPC的光学和声学模式,并表明,q依赖性源于两个带之间的散射过程在费米表面都具有Nb 4d字符。最后,我们证明了在T = 33 K(= { T_{CDW} })的软模色散可以很好地描述的基础上的强q依赖EPC矩阵元素和声学类裸声子色散与室温附近的观察。

英文摘要:

We present an investigation of the lattice dynamics of the charge-density-wave compound 2H-NbSe2. We analyze the precise nature of the wave vector dependent electron-phonon coupling (EPC) and derive the bare dispersion of the charge-density-wave (CDW) soft phonon mode using inelastic x-ray scattering combined with ab-initio calculations. Experimentally, phonon modes along the Γ - M line, i.e. q = (h, 0, 0) with 0 <= h <= 0.5, with the same longitudinal symmetry (Σ1) as the CDW soft mode were investigated up to 32 meV. In agreement with our calculations we observe significant EPC in the optic modes at h <= 0.2. We analyze the EPC in the optic as well as acoustic modes and show that the q dependences stem from scattering processes between two bands at the Fermi surface both having Nb 4d character. Finally, we demonstrate that the soft mode dispersion at T = 33 K (= {T_{CDW}}) can be well described on the basis of a strongly q dependent EPC matrix element and an acoustic-like bare phonon dispersion in agreement with observations near room temperature.

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