Condensed Matter Physics Commons^™

Transport Properties Of Binary And Doped Diborides, Alin Babu Niraula

MSU Graduate Theses

A systematic computational study to evaluate the electronic structures and transport properties including resistivity, thermal conductivity of several binary diborides (ZrB2 , TiB2 , TaB2 , CrB2 , and AlB2 ) and the ZrB2 alloyed with Cr, Al, Ti and Ta has been performed. Due to the p-d hybridization, the characteristic pseudo gap at the Fermi energy level (Ef) from the density of states (DOS) is presence in the DOS of both ZrB2 and TiB2 in contrast to those of TaB2 and CrB2 with only a partial occupation on the anti-bonding states. AlB2 is also similarly shown the presence of …