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Prog. Theor. Phys. Vol. 87 No. 2 (1992) pp. 307-329

[ Full Text PDF : FREE ACCESS (1103K) ]

Vector Charge Density Wave Model of Metallic and Trigonal Te

Yukihiro Shimoi and Hideo Fukutome

Department of Physics, Kyoto University, Kyoto 606-01

(Received February 14, 1991)

Abstract:

High pressure metallic (m-) Te and pressure dependence of trigonal (t-) Te are studied by the vector charge density wave (VCDW) model, namely by coupled CDWs on vector p orbitals. Metallic Te comprising dimerized zigzag chains as well as semiconducting t-Te with helical chains can be described by VCDWs with the wave numbers (0, π/2, π/2) and (2π/3, 2π/3, 2π/3), respectively, on a simple cubic lattice. The VCDW model is improved to include all the first order change of the transfer interaction so that the effect of shear deformation can be taken into account. The VCDW model with suitable parameters can describe the electronic and lattice structures of t-Te and most of their pressure dependences. It can qualitatively explain the characteristic features of m-Te such as the chain dimerization and anisotropic energy band. The difference in the free energies between m- and t-Te decreases by pressure explaining qualitatively the pressure induced semiconductor-metal and t-Te decreases by pressure explaining qualitatively the pressure induced semiconductor-metal transition.


URL : http://ptp.ipap.jp/link?PTP/87/307/
DOI : 10.1143/PTP.87.307

[ Full Text PDF : FREE ACCESS (1103K) ] Citation:

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Citing Article(s) :

  1. Journal of the Physical Society of Japan 64 (1995) pp. 4766-4789 :
    Structure and Electronic Properties of Te–Se Mixtures under High Pressure
    Yoshinori Ohmasa, Itsuro Yamamoto, Makoto Yao and Hirohisa Endo
  2. Journal of the Physical Society of Japan 66 (1997) pp. 676-683 :
    A Semi-Empirical Model Study of the Electronic and Lattice Structure of a Pressure-Quenched Se-Te Mixed Crystal
    Atsushi Ikawa
  3. Journal of the Physical Society of Japan 66 (1997) pp. 684-689 :
    ESR Study of Pressure-Quenched Monoclinic Te 0.4Se 0.6
    Yoshinori Ohmasa, Makoto Yao and Hirohisa Endo

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