تأثير الضغط الهيدروستاتيكي على كثافة الحالات لهيدريد الليثيومLiH_225

Abstract

In this research we study the effect of hydrostatic pressure on the density of state for the lithium hydride LiH_225 compound. The density of state relative to any pressure was calculated using the WIEN2K package ; which is based on the density functional thoery (DFT) and the full potential linearized augmented wave (FP-LAPW) (take all cases in account for the computational). It has been found that the incease of pressure leeds to decrease of the gap energy, in other wise the valance band moses to lower energy wheres the conduction band mores to higher energy levels. Narrowing of gap energy is related to the decrease of the stability of LiH_225 hydride which allow the dissociation of hydrogen atoms from this compound with the lowest cast (the temperateur of this dissociation is less than 700c)