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Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells": 10. 1021/acsenergylett. 7b01313* File Tree --- * DFTCALC // Row input file for DFT calculation (VASP) * XXDEFECTCZTS (e) // Data for CZTS (or CZTSe) * XXPRIM (ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell) * XXDefect // Data for defect (VS, SnCu, SnZn, CuSn) * XXq // SCF calculation with charge state q * fig // data used to draw figures * 00ₐtomicₛtructure * 01chargeₜransitionₗevel * 02chargedensity * 03configurationcoordinate * 20SIPHASEDIAGRAM
Kim et al. (Thu,) studied this question.
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