Phase-change materials (PCMs) undergo a reversible transition from semiconducting to metallic state, nicely termed “incipient metal.” This is driven by Peierls distortion. A model of covalent bonding developed in tight-binding scheme that accounts for the drastic evolution some properties PCMs, among which Grüneisen parameter. The original vibrational PCM and related distorted are analyzed. thr...

abstract: â in this study, the change in the crystalline structure of gas hydrate was predicted for ternary mixture of methane-ethane-water. for this purpose, the tangent plane distance (tpd) minimization method was used. first, the calculations were performed for the binary mixtures of methane-water and ethane-water as the gas and liquid phases. the results show that for a binary mixture of th...