Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"
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https://zenodo.org/record/1162658
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**README**
Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"
DOI: 10.1021/acsenergylett.7b01313
* File Tree
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* DFT_CALC // Row input file for DFT calculation (VASP)
* XX_DEFECT_CZTS(e) // Data for CZTS (or CZTSe)
* XX_PRIM(ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell)
* XX_Defect // Data for defect (V_S, Sn_Cu, Sn_Zn, Cu_Sn)
* XX_q // SCF calculation with charge state q
* fig // data used to draw figures
* 00_atomic_structure
* 01_charge_transition_level
* 02_charge_density
* 03_configuration_coordinate
* 20_SI_PHASE_DIAGRAM
创建时间：
2020-01-24
