Journal
PHYSICAL REVIEW LETTERS
Volume 92, Issue 22, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.92.225504
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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 In-111/Cd-111 probe atoms in In doped CdTe. In this way, the experimental identification of the DX center structure is established.
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