Title of article :
DFT calculation of EPR parameters of antisite defect in gallium arsenide
Author/Authors :
Esteves، نويسنده , , Marcos C. and Rocha، نويسنده , , Alexandre B. and Vugman، نويسنده , , Ney V. and Bielschowsky، نويسنده , , Carlos E.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2008
Pages :
4
From page :
188
To page :
191
Abstract :
The hyperfine coupling constants and electronic g-tensor were calculated for As Ga + (antisite defect) in gallium arsenide using saturated cluster models and the density functional theory. The calculated values for the EPR parameters present an excellent agreement with the experimental results. For the hyperfine calculation, we evaluated the spin-polarization induced by the unpaired electron in order to observe the contribution of each electron to this parameter.
Journal title :
Chemical Physics Letters
Serial Year :
2008
Journal title :
Chemical Physics Letters
Record number :
1923606
Link To Document :
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