First-principle study of native defects in CuScO2 and CuYO2

作者: Fang Zhi-Jie , Shi Li-Jie , Liu Yong-Hui

DOI: 10.1088/1674-1056/17/11/053

关键词: Vacancy defectConductivityChemical physicsCharge (physics)First principle studyOxygenCopperElectronic structureAcceptorMaterials science

摘要: This paper studies the electronic structure and native defects in transparent conducting oxides CuScO 2 and CuYO 2 using the first-principle calculations. Some typical native copper-…

参考文章(32)
Takeshi Obata, Takashi Manako, Yuichi shimakawa, Yoshimi Kubo, Magnetoresistance in Tunnel Junctions Made of Epitaxially Grown Manganate Films with 1.6-nm-Thick Barriers Journal of Electroceramics. ,vol. 4, pp. 427- 432 ,(2000) , 10.1023/A:1009924307232
I. Hamada, H. Katayama-Yoshida, Energetics of native defects in CuAlO2 Physica B-condensed Matter. ,vol. 376, pp. 808- 811 ,(2006) , 10.1016/J.PHYSB.2005.12.202
Hiroshi Kawazoe, Masahiro Yasukawa, Hiroyuki Hyodo, Masaaki Kurita, Hiroshi Yanagi, Hideo Hosono, P-type electrical conduction in transparent thin films of CuAlO2 Nature. ,vol. 389, pp. 939- 942 ,(1997) , 10.1038/40087
Xiliang Nie, Su-Huai Wei, S. B. Zhang, Bipolar doping and band-gap anomalies in delafossite transparent conductive oxides. Physical Review Letters. ,vol. 88, pp. 066405- ,(2002) , 10.1103/PHYSREVLETT.88.066405
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
Hiroshi Yanagi, Tomomi Hase, Shuntaro Ibuki, Kazushige Ueda, Hideo Hosono, Bipolarity in electrical conduction of transparent oxide semiconductor CuInO2 with delafossite structure Applied Physics Letters. ,vol. 78, pp. 1583- 1585 ,(2001) , 10.1063/1.1355673
H. Katayama-Yoshida, T. Koyanagi, H. Funashima, H. Harima, A. Yanase, Engineering of nested Fermi surface and transparent conducting p-type Delafossite CuAlO2: possible lattice instability or transparent superconductivity? Solid State Communications. ,vol. 126, pp. 135- 139 ,(2003) , 10.1016/S0038-1098(02)00875-X
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Computational Materials Science. ,vol. 6, pp. 15- 50 ,(1996) , 10.1016/0927-0256(96)00008-0
Hiroshi Yanagi, Shin-ichiro Inoue, Kazushige Ueda, Hiroshi Kawazoe, Hideo Hosono, Noriaki Hamada, Electronic structure and optoelectronic properties of transparent p-type conducting CuAlO2 Journal of Applied Physics. ,vol. 88, pp. 4159- 4163 ,(2000) , 10.1063/1.1308103