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The forbidden gap and insulator-metal transition under pressure

  • Lattice Dynamics and Phase Transitions
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Abstract

The behavior of the energy bands and the band gap width of a compressed insulator crystal is studied. The conduction band energy at the center of a face of the Brillouin zone first increases and then abruptly decreases upon an increase in compression, resulting in a collapse of the forbidden gap and in an insulator-metal (IM) transition. A model proposed for the mechanism of this transition interprets it to be a phase transition of order two and a half. The compression ratio and pressure at which an IM transition occurs in neon under pressure are predicted on the basis of nonempirical calculations of the valence and conduction bands. A simplified model suitable for calculating the metallization effect in more complex crystals is proposed.

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Authors and Affiliations

  1. Donetsk Institute of Physics and Technology, National Academy of Sciences of Ukraine, Donetsk, 83114, Ukraine

    E. V. Zarochentsev & E. P. Troitskaya

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  1. E. V. Zarochentsev
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  2. E. P. Troitskaya
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__________

Translated from Fizika Tverdogo Tela, Vol. 44, No. 7, 2002, pp. 1309–1317.

Original Russian Text Copyright © 2002 by Zarochentsev, Troitskaya.

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Zarochentsev, E.V., Troitskaya, E.P. The forbidden gap and insulator-metal transition under pressure. Phys. Solid State 44, 1370–1379 (2002). https://doi.org/10.1134/1.1494638

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