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Density functional theory calculations establish the experimental evidence of the DX center atomic structure in CdTe.
- Source :
-
Physical review letters [Phys Rev Lett] 2004 Jun 04; Vol. 92 (22), pp. 225504. Date of Electronic Publication: 2004 Jun 04. - Publication Year :
- 2004
-
Abstract
- The In DX center and the DX-like configuration of the Cd host atom in CdTe are investigated using density functional theory. The simultaneous calculation of the atomic structure and the electric field gradient (EFG) allows one to correlate the theoretically predicted structure of the DX center with an experimental observable, namely, the EFG obtained from radioactive 111In/111Cd probe atoms in In doped CdTe. In this way, the experimental identification of the DX center structure is established.
Details
- Language :
- English
- ISSN :
- 0031-9007
- Volume :
- 92
- Issue :
- 22
- Database :
- MEDLINE
- Journal :
- Physical review letters
- Publication Type :
- Academic Journal
- Accession number :
- 15245236
- Full Text :
- https://doi.org/10.1103/PhysRevLett.92.225504