Compensation effect in undoped polycrystalline CdTe synthesized under nonequilibrium conditions

Багаев, В. С.; Klevkov, Yu. V.; Kolosov, S. A.; Кривобок, В. С.; Shepel, A. A.

doi:10.1134/s1063783411080051

Cited by 11 publications

(2 citation statements)

References 25 publications

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“…11 It is expected that Cl in CdTe forms a shallow donor (n-type CdTe) because Cl has one more electron than Te. Instead, under Te-rich growth conditions, Cl-doping does not create n-type CdTe, 12 because the negatively charge Cd vacancy, V than the concentration of intrinsic V −1 C d , Cl-doped CdTe still does not turn n-type. 8 This is explained by the spontaneous formation of the (Cl T e -V C d ) 0 complex, which energetically is more favourable than the creation of a neutral Cl T e (self-compensation).…”

Section: −1mentioning

confidence: 99%

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Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

et al. 2015

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The coexistence in Te-rich CdTe of substitutional Cl-dopants, ClTe, which act as donors, and Cd vacancies, VCd−1, which act as electron traps, was studied from first principles utilising the HSE06 hybrid functional. We find ClTe to preferably bind to VCd−1 and to form an acceptor complex, (ClTe–VCd)−1. The complex has a (0,-1) charge transfer level close to the valence band and shows no trap state (deep level) in the band gap. During the complex formation, the defect state of VCd−1 is annihilated and leaves the Cl-doped CdTe bandgap without any trap states (self-purification). We calculate Cl-doped CdTe to be semi-insulating with a Fermi energy close to midgap. We calculate the formation energy of the complex to be sufficiently low to allow for spontanous defect formation upon Cl-doping (self-compensation). In addition, we quantitatively analyse the geometries, DOS, binding energies and formation energies of the (ClTe–VCd) complexes.

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Section: −1mentioning

confidence: 99%

“…12 The generally accepted model gives chlorine a similar role as lithium has in Si compensation in the presence of residual acceptors. It is assumed that the doubly charged vacancy, V −2 C d , acts as an acceptor in CdTe and is compensated by Cl T e as follows:…”

Section: A Complex Formationmentioning

confidence: 99%