High-Pressure Structural Phase Transition of BSb

✍ Scribed by A. Zaoui; M. Ferhat

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 76 KB
• Volume: 225
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/(sici)1521-3951(200105)225:1<15::aid-pssb15>3.0.co;2-7

✦ Synopsis

Using an ab initio pseudopotential approach and the local-density approximation for the exchange-correlation potential, we have predicted the structural phase transformation of BSb using two different ways: first, by calculating the equation of states of zincblende (ZB) and rocksalt (RS) structures of BSb; secondly, by using a new approach based on the behavior of the bonding character under pressure. The two values found from the two different methods are in agreement and give a good estimate for the value of the high-pressure structural phase transition of BSb.