Properties of solids under high pressure - An electronic band structure approach

The predicting capability of various parameters related to solids by perfor ming their high pressure electronic band structures is discussed in detail. The studies on ground state crystal structure, magnetic structure and magn etic phase transitions under pressures, s-d electron transitions, bulk modu lus, Debye temperature, elastic constants, insulator to metal transitions a nd the phenomenon of pressure induced superconductivity will be discussed w ith examples. Especially the method of calculating the Debye temperature fo r a large number of ternary chalcopyrite systems using their recently evalu ated band structure will be presented. The limitations of the band theory w hen used with the local density approximation with respect to the determina tion of band gaps and magnetic properties will also be discussed.