Self-compensation in phosphorus-doped CdTe

Flores, Mauricio A.; Orellana, Walter; Menéndez-Proupín, E.

doi:10.1103/physrevb.96.134115

Cited by 16 publications

(18 citation statements)

References 50 publications

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“…For example, a higher open circuit voltage above 1.0 V in monocrystalline CdTe with PCE ~17% by doping phosphorus (P) has been achieved . However, polycrystalline CdTe devices with 22% PCE suffers a relative low V oc close to 0.9 V. It is a huge challenge to introduce P or other group V dopants (eg, As and Sb) into the polycrystalline CdTe to further improve the V oc.…”

Section: Introductionmentioning

confidence: 99%

Solution‐processed copper (I) thiocyanate (CuSCN) for highly efficient CdSe/CdTe thin‐film solar cells

Montgomery

Guo

Grice

et al. 2019

Progress in Photovoltaics

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Solution‐processed CuSCN serving as hole transport, electron reflecting layer (HTL, ERL) and Cu dopant source for CdSe/CdTe thin‐film solar has demonstrated high power conversion efficiency (PCE) of ~17%. Two types of solvent, diethyl sulfide (DES) and aqueous ammonia (NH4OH), are explored to deposit CuSCN on CdTe, and both can enhance the performance of CdSe/CdTe solar cells. However, NH4OH solvent is less toxicity, leading to a smoother surface than DES solvent, enabling the deposition of ultra‐thin CuSCN layer and avoiding the high cost of DES. Temperature‐dependent current‐voltage (J‐V‐T) and capacitance‐voltage (C‐V‐T) measurements reveal that the use of CuSCN HTL increases hole concentration in CdTe absorber and significantly reduces back‐contact barrier height. High power conversion efficiency is achievable with the optimal thickness of the CuSCN layer. Our results demonstrate solution‐processed CuSCN HTL for enhancing the efficiency and reducing the cost of CdTe thin‐film solar cells.

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Section: Introductionmentioning

confidence: 99%

Solution‐processed copper (I) thiocyanate (CuSCN) for highly efficient CdSe/CdTe thin‐film solar cells

Montgomery

Guo

Grice

et al. 2019

Progress in Photovoltaics

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“…In the neutral charge state, the Cd vacancy undergoes a structural distortion from T d to C 2v symmetry. The situation is similar to the well-known AX distortion, 98,111 where two Te atoms move toward each other to form a new bond. The net result is the loss of one bond (as each Te atom breaks one bond with a Cd atom) and the creation of an empty antibonding orbital.…”

Section: Localized Defect Levels In the Band Gapmentioning

confidence: 67%

Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors

Flores

Orellana²,

Menéndez-Proupín

2018

Phys. Rev. B

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Hybrid functionals, which mix a fraction of Hartree-Fock (HF) exchange with local or semilocal exchange, have become increasingly popular in quantum chemistry and computational materials science. Here, we assess the accuracy of the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional to describe many-electron interactions and charge localization in semiconductors. We perform diffusion quantum Monte Carlo (DMC) calculations to obtain the accurate ground-state spin densities of the negatively charged (SiV) − and the neutral (SiV) 0 silicon-vacancy center in diamond, and of the cubic silicon carbide (3C-SiC) with an extra electron. We compare our DMC results with those obtained with the HSE functional and find a good agreement between both methods for (SiV) − and (SiV) 0 , whereas the correct description of 3C-SiC with an extra electron crucially depends on the amount of HF exchange included in the functional. Also, we examine the case of the neutral Cd vacancy in CdTe, for which we assess the performance of HSE against the many-body GW approximation for the description of the position of the defect states in the band gap. arXiv:1805.01668v3 [cond-mat.mtrl-sci]

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“…The self‐compensation is understood as the response of an active impurity system to the introduction of another active impurity, which tend to compensate their electrical activity through the formation of opposite charged defects . Self‐compensation by the same impurity has been also suggested in P‐doped CdTe …”

Section: Resultsmentioning

confidence: 99%

Energetics and Electronic Properties of Interstitial Chlorine in CdTe

Orellana

Menéndez-Proupín

Flores

2018

Physica Status Solidi (b)

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The role of interstitial chlorine in the electronic properties of CdTe is addressed by density functional theory calculations including hybrid functionals and large unit cells. The stability and diffusion energy barriers of the impurity are analyzed as a function of the Fermi level position in the band gap. Chlorine is found to be stable in at least five interstitial sites with rather close formation energies, suggesting that they are all probable to be found. In p‐type CdTe, the most stable sites are at the center of a CdTe bond and at a split‐interstitial configuration, both acting as shallow donors. Whereas in n‐type CdTe, it is found at the tetrahedral site surrounded by Cd hosts, acting as a shallow acceptor. We also find that chlorine can induce a deep acceptor level in the bandgap after binding with three Cd host atoms, which can explain the experimentally observed high resistivity in Cl‐doped CdTe. The energy barriers for chlorine diffusion in both p‐type and n‐type CdTe are also discussed.

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Self-compensation in phosphorus-doped CdTe

Cited by 16 publications

References 50 publications

Solution‐processed copper (I) thiocyanate (CuSCN) for highly efficient CdSe/CdTe thin‐film solar cells

Solution‐processed copper (I) thiocyanate (CuSCN) for highly efficient CdSe/CdTe thin‐film solar cells

Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors

Energetics and Electronic Properties of Interstitial Chlorine in CdTe

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