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.
Elastic Soft Mode and Electric Quadrupole Response in Excitonic Insulator Candidate (Ta$_{0.952}$V$_{0.048}$)$_2$NiSe$_5$: Contribution of Electron-Phonon Interaction
我们对(Ta $_{0.952}$ V $_{0.048}$)$_2$ NiSe $_5$进行了超声测量,以研究区中心声学声子对结构和可能的激子跃迁的贡献。用不可约表示$B_\mathrm{2g}$表示的横向弹性常数$C_{55}$在高于$T_\mathrm{s} = 280$ K的转变温度时表现出超过90%的软化,表明相应TA声子的软模。基于四极响应的分析表明,如果实现激子跃迁,除了导带和价带之间的杂化作用外,电子-声子相互作用也对激子跃迁有贡献。
The effect of dispersive optical phonons on the behaviour of a Holstein polaron
本文利用无近似的Bold Diagrammatic Monte Carlo方法研究了光学声子模的有限色散对Holstein极化子性质,特别是其有效质量的影响。对于弱的电子-声子耦合,这种影响很小,但对于中等和大的电子-声子耦合,它变得显著。有效质量被发现增加(减少),如果声子色散有一个负(正)曲率在中心的布里渊区。
Soft-phonon and charge-density-wave formation in nematic BaNi$_2$As$_2$
我们用扩散和非弹性X射线散射研究了BaNi $_2$ As $_2$中的无公度电荷密度波(I-CDW)的形成。在I-CDW的调制矢量$Q_{I-CDW}$周围观察到强烈的漫散射。它在室温下已经可见,并在长程有序状态下坍缩成超结构反射,其中发生小的正交畸变。在$Q_{I-CDW}$周围观察到低能横光学声子模色散的明显下降。声子在冷却时不断软化,最终驱动向I-CDW状态的转变。软声子分支的横向特征阐明了在当前和早期研究中观察到的I-CDW卫星的复杂模式,并解决了I-CDW的单向性的争议。声子不稳定性和它的倒易空间位置被我们的${ab}$ ${initio}$计算很好地捕获。然而,这些都表明费米表面嵌套,也没有增强的动量依赖的电子-声子耦合可以解释I-CDW的形成,证明了它的非常规性质。并提出了I-CDW的替代来源。
Soft Phonon Charge-Density Wave Formation in the Kagome Metal KV$_3$Sb$_5$
Zhejiang University(浙江大学);Hangzhou Normal University(杭州师范大学);University of Science and Technology of China(中国科学技术大学);Zhejiang University of Technology(浙江工业大学);Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China(中国科学院微观尺度物理科学合肥国家研究中心,中国科学技术大学)
Soft phonon modes in the vicinity of the structural quantum critical point
准方钴矿超导体$A_3T_4$ Sn $_{13}$($A$ =Sr,Ca; $T$ =Ir,Rh,Co)是高度可调谐的,其特征在于结构量子临界点。我们构建了这些等价化合物的温度-晶格常数相图,分别将Ca $_{3}$ Rh $_4$ Sn $_{13}$和Ca $_{3}$ Co $_4$ Sn $_{13}$作为接近和远离结构量子临界点的成员。解卷积的晶格比热和电阻率提供了一个近似的声子态密度$F(ω)$和电子-声子输运耦合函数$α_{tr}^2F(ω)$的钙$_{3}$铑$_4$锡$_{13}$和钙$_{3}$钴$_4$锡$_{13}$,使我们能够调查的结构量子临界点的影响。我们的结果支持声子软化的情况接近结构量子临界点,并解释了增强的耦合强度接近结构不稳定性。