Electronic Structure of Quasi-One-Dimensional Transition Metal Chalcogenide Nb_3X_4

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概要

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• A first-principles selfconsistent non-relativistic calculation of the energy-bandstructures of quasi-one-dimensional transition metal chalcogenides Nb.S.,Nb.Se. and Nb.Te. has been performed by using the numerical-basis-set ICAOmethod. The resulting Fermi surfaces of these three chalcccgenides consist ofwarped or undulating plane-like sheets. The calculated Fermi-level density ofstates agrees well with the experimental value obtained fro?n the specific heatmeasurement. The characteristic features of the observed optical reflectivityspectra of Nb.S. are explained by the calculated energy-band structure. More-over, a mechanism of electron-electron Umklapp scattering processes associatedwith the calculated Fermi surfaces is proposed as an origin of the unusual T'form of the temperature dependence of the electrical resistivity of Nb.S. andNb.Se..

• 社団法人日本物理学会の論文
• 1983-02-15

著者

• Oshiyama Atsushi

  Department Of Applied Physics The University Of Tokyo

• Oshiyama Atsushi

  Department Of Physics University Of Tokyo

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