`Structural and Electronic Properties of Compressed Selenium and Tellurium under High Pressure'
H.Ohtani, T.Yamaguchi and F.Yonezawa
RIKEN Review 29 103 (2000).
We investigate the mechanisms of the nonmetal-metal transitions
of Se and Te induced by the volume compression
both in the solid and liquid states
by the density functional method.
The volume compression increases
the band width and the system
transforms from nonmetal to metal phase
both in the crystalline Se and Te.
When the system has structural disorder,
the energy of the anti-bonding level
corresponding to long bonds is decreased.
This situation induces
a nonmetal-to-metal transition
in liquid Se under compression at a pressure
lower than that for crystalline Se as well as
in melting of Te under the normal pressure.
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2000/12/07