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
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
收藏
页数:7
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