Electronic structure, bonding, and ground-state properties of AlB_{2}-type transition-metal diborides

Vajeeston, Ponniah; Ravindran, P.; N. Ravi, C.; Asokamani, R.

doi:10.1103/physrevb.63.045115

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Electronic structure, bonding, and ground-state properties of AlB_{2}-type transition-metal diborides

Published in Physical review. B, Condensed matter • Jan 1, 2001

Authors:

Ponniah Vajeeston

P. Ravindran

C. N. Ravi

Abstract

The electronic structure and ground state properties of ${\mathrm{AlB}}_{2}$ type transition metal diborides ${\mathrm{TMB}}_{2}$ (TM=Sc, Ti, V, Cr, Mn, Fe, Y, Zr, Nb, Mo, Hf, Ta) have been calculated using the self consistent tight-binding linear muffin-tin orbital method. The equilibrium volume, b...

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Pseudogap

Ground state

Electronic structure

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