MoSi2 Band Gap Modulation at High Pressure

The electronic structure of transition metal disilicides MoSi2 at high pressure was studied by using LMTO-ASA method. All the relativistic effects except spin-orbit coupling were considered. The results indicate that, with the compressibility increasing, the width of valence band became wider which shows the interaction between Mo d electrons and Si p electrons became larger, the cohesion of crystal increases. Should we say that, this result is conflict to the rule of metallization of nonconductors at high pressure.