Research Article
Ab Initio High-Pressure Study of Semiconductor-Metal Phase Transition of the Chalcogenide Compound KPSe6
Figure 10
(a) A study on the effect of pressure on the enthalpy of the material. Pressure and enthalpy of the compound were found to be directly proportional. (b). A plot of the volume of the crystal against pressure. An inverse relationship was obtained as shown above. (c). A plot of the calculated density of the compound versus pressure. As more pressure was introduced into the system, the density of KPSe6 increased as well. This implies that the stability of the chalcogenide compound KPSe6 improved as pressure increased [17].
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