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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 th...


Orellana, W.Menéndez-Proupin, E.Flores, M.A.[Energetics and Electronic Properties of Interstitial Chlorine in CdTe]Energetics and Electronic Properties of Interstitial Chlorine in CdTe

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