Directional bonding in atomistic simulations

✍ Scribed by M. Aoki; D.G. Pettifor

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 509 KB
• Volume: 176
• Category: Article
• ISSN: 0921-5093
• DOI: 10.1016/0921-5093(94)90954-7

✦ Synopsis

lnteratomic potentials have been developed during the past few years which include the directional character of the covalent bond explicitly by retaining terms up to the fourth moment within tight binding theory. These recent developments are reviewed and future directions indicated with particular reference to semiconductors and transition metals.