High-energy collective electronic excitations in layered transition-metal dichalcogenides

被引：11

作者：

Cudazzo, Pierluigi ^{[1
,2
,3
]}

Ruotsalainen, Kari O. ^{[4
]}

Sahle, Christoph J. ^{[4
]}

Al-Zein, Ali ^{[5
]}

Berger, Helmuth ^{[6
]}

Navarro-Moratalla, Efren ^{[7
]}

Huotari, Simo ^{[4
]}

Gatti, Matteo ^{[3
,8
,9
]}

Rubio, Angel ^{[1
,2
,3
]}

机构：

[1] Univ Basque Country, Dept Fis Mat, Ctr Fis Mat, Nanobio Spect Grp,CSIC UPV EHU MPC, E-20018 San Sebastian, Spain

[2] Univ Basque Country, DIPC, E-20018 San Sebastian, Spain

[3] European Theoret Spect Facil, San Sebastian, Spain

[4] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland

[5] European Synchrotron Radiat Facil, F-38043 Grenoble, France

[6] Ecole Polytech Fed Lausanne, Inst Phys Nanostruct, CH-1015 Lausanne, Switzerland

[7] Univ Valencia, Inst Ciencia Mol ICMol, Valencia, Spain

[8] Ecole Polytech, CNRS CEA DSM, Solides Irradies Lab, F-91128 Palaiseau, France

[9] Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France

来源：

PHYSICAL REVIEW B | 2014年 / 90卷 / 12期

基金：

欧洲研究理事会; 芬兰科学院;

关键词：

LOSS SPECTRA; DENSITY; PSEUDOPOTENTIALS; CARBON;

D O I：

10.1103/PhysRevB.90.125125

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We characterize experimentally and theoretically the collective electronic excitations in two prototypical layered transition-metal dichalcogenides, NbSe2 and Cu0.2NbS2. The energy- and momentum-dependent dynamical structure factor was measured by inelastic x-ray scattering (IXS) spectroscopy and simulated by time-dependent density-functional theory. We find good agreement between theory and experiment, provided that Nb semicore states are taken into account together with crystal local-field effects. Both materials have very similar spectra, characterized by two main plasmons at 9 and 23 eV, which we show to both have pi + sigma character on the basis of a detailed analysis of the band structure. Finally, we discuss the role of the layer anisotropy in the dispersion of these plasmons.

引用

页数：7

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