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Pressure-induced metallic phase transition and elastic properties of indium phosphide III-V semiconductor

Published online by Cambridge University Press:  14 March 2012

Chenghua Hu ,
Feng Wang  and
Zhou Zheng
Chenghua Hu
Affiliation:
School of Science, Chongqing Jiaotong University, Chongqing 400074, China
Feng Wang*
Affiliation:
School of Science, Chongqing Jiaotong University, Chongqing 400074, China
Zhou Zheng
Affiliation:
Institute of Nuclear Physics and Chemistry, CAEP, Mianyang 621900, China
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

In this work, we find that the pressure-induced phase transition of InP from III-V semiconductor phase having zincblende (ZB) crystal structure to metallic phase having rocksalt (RS) structure occurs at a pressure of 8.56 GPa accompanied by an 18% volume collapse. It is found that the nearest In and P atoms bonded as covalent bond. Crystal space of ZB is just occupied by In-P tetrahedrons partly with many interstices, but that of RS is fulfilled by close-packed octahedrons entirely. With pressures, broadened energy band of antibonding state and the reduced density of states (DOS) of bonding state cause the weakening of tetrahedral In-P covalent bonds. And then, ZB is destroyed and rebuilt to RS structure. Some In-5s, In-5p, P-3p and a few P-3s move to unoccupied high energy level, across Fermi level, and migrate from valence band to conduction band, and then generate metallic properties. Furthermore, changes of covalent bond would cause evident variation of elastic properties on the {100} and {110} planes.

Keywords

Phase transitionElectronic structureElastic properties
Type
Articles
Information
Journal of Materials Research , Volume 27 , Issue 8 , 28 April 2012 , pp. 1105 - 1111
Copyright
Copyright © Materials Research Society 2012

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