Bands and bonds of $B_{12}$ ${As}_{2}$

Publisher Website

15 January 1992

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 45 (4) , 1533-1537
https://doi.org/10.1103/physrevb.45.1533

Abstract

Ab initio pseudopotential calculations of the crystal structure, electronic structure, cohesive energy, and formation enthalpy of

B_{12}

{As}_{2}

have been calculated using a large plane-wave expansion. We compare the bonding with that of

B_{12}

,

B_{13}

C_{2}

, and

B_{12}

O_{2}

, which have nearly or exactly identical structures as well as with that of elemental As.

Keywords

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