The Nature of Shallow-State Wave Functions in Semiconductors

✍ Scribed by A.S. Martins; J.G. Menchero; R.B. Capaz; B. Koiller

• Publisher: John Wiley and Sons
• Year: 2002
• Tongue: English
• Weight: 70 KB
• Volume: 232
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/1521-3951(200207)232:1<106::aid-pssb106>3.0.co;2-5

✦ Synopsis

The problem of donor impurities is revisited within the tight-binding (TB) framework, yielding an atomistic description of the impurity levels and their wave functions. Finite-size scaling is used in order to extrapolate our supercell calculations to the bulk limit. Special attention is given to the analysis of the defect wave function and comparison with the effective mass theory (EMT) predictions.