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Study of band offset at ZnS/Cu2ZnIVS4(IV=Si,Ge,Sn) heterointerfaces

W. BAO1,* , F. Y. QIU1, S. BAI2, Y. LI1, D. M. CHEN1


  1. College of New Energy, Bohai University, Jinzhou 121013, China
  2. College of Engineering, Bohai University, Jinzhou 121013, China


Electrical transport properties of heterojunction solar cells are greatly influenced by the band offsets at the heterointerface. In this research, the band offsets of ZnS/Cu2ZnIVS4(IV=Si,Ge,Sn) heterointerfaces were studied by first-principles calculation method and their heterojunction solar cells were simulated by AMPS simulator. Band offset of ZnS/Cu2ZnSiS4 was observed to be type II heterointerface, with a cliff-like conduction band offset. ZnS/Cu2ZnGeS4 and ZnS/Cu2ZnSnS4 were demonstrated to be type I heterointerface with the large conduction band spike (0.7eV and 1.4eV, respectively), caused very little short circuit current densities..


Cu2ZnIVS4(IV=Si,Ge,Sn), Heterointerface, Band offset, Solar cell.


W. BAO, F. Y. QIU, S. BAI, Y. LI, D. M. CHEN, Study of band offset at ZnS/Cu2ZnIVS4(IV=Si,Ge,Sn) heterointerfaces, Optoelectronics and Advanced Materials - Rapid Communications, 12, 5-6, May-June 2018, pp.327-331 (2018).

Submitted at: June 21, 2017

Accepted at: June 7, 2018