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The Nature of Shallow‐State Wave Functions in Semiconductors
Author(s) -
Martins A.S.,
Menchero J.G.,
Capaz R.B.,
Koiller B.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200207)232:1<106::aid-pssb106>3.0.co;2-5
Subject(s) - supercell , wave function , impurity , scaling , limit (mathematics) , semiconductor , physics , tight binding , function (biology) , effective mass (spring–mass system) , condensed matter physics , statistical physics , quantum mechanics , electronic structure , mathematics , mathematical analysis , geometry , thunderstorm , evolutionary biology , meteorology , biology
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.