Ab initio study of metastability of Eu3+ defect complexes in GaN

作者：Ouma Cecil N M^*; Meyer Walter E

来源：Physica B: Condensed Matter , 2014, 439: 141-143.

DOI：10.1016/j.physb.2013.11.004

• Metastability
• Charge state controlled
• Defects
• GaN

Density functional theory (DFT) within the generalized gradient approximation (GGA) has been used to study the structural and electronic properties of Eu3+ defect complexes in GaN under Ga-rich conditions. Two distinct configurations of the EuGaVN defect complex, the axial and basal configuration, have been investigated. We report two forms of metastable defects namely; the Negative U defect in the lower half of the GaN band-gap and a metastable defect with two distinct configurations each with levels at E-C -046 eV and -0.56 eV in the upper half of the GaN band-gap.

• 出版日期2014-4-15