First-principles study of point defects in solar cell semiconductor CuI
In: Physica. B, Condensed matter, Jg. 413 (2013), S. 116-119
academicJournal
- print, 30 ref
Zugriff:
Hybrid density functional theory is used to study the formation energies and transition levels of point defects VCu, VI, ICu, Cul, and Ol in CuI. It is shown that the Heyd-Scuseria-Ernzerhof (HSE06) method can accurately describe the band gap of bulk CuI. As a solar cell material, we find that p-type semiconductor Cul can be obtained under the iodine-rich and copper-poor conditions. Our results are in good agreement with experiment and provide an excellent account for tuning the structural and electronic properties of Cul.
Titel: |
First-principles study of point defects in solar cell semiconductor CuI
|
---|---|
Autor/in / Beteiligte Person: | HUI, CHEN ; WANG, Chong-Yu ; WANG, Jian-Tao ; YING, WU ; ZHOU, Shao-Xiong |
Link: | |
Zeitschrift: | Physica. B, Condensed matter, Jg. 413 (2013), S. 116-119 |
Veröffentlichung: | Kidlington: Elsevier, 2013 |
Medientyp: | academicJournal |
Umfang: | print, 30 ref |
ISSN: | 0921-4526 (print) |
Schlagwort: |
|
Sonstiges: |
|