beta-CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics
SCIE
SCOPUS
- Title
- beta-CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics
- Authors
- Song, Seungwoo; Kim, Donghun; Jang, Hyun Myung; Yeo, Byung Chul; Han, Sang Soo; Kim, Chang Soo; Scott, James F.
- Date Issued
- 2017-09
- Publisher
- AMER CHEMICAL SOC
- Abstract
- We propose a recently discovered material, namely, beta-CuGaO2 [T. Omata et al., J. Am. Chem. Soc. 2014, 136, 3378] as a strong candidate material for efficient ferroelectric photovoltaics (FPVs). According to first-principles predictions exploiting hybrid density functional, beta-CuGaO2 is ferroelectric with a remarkably large remanent polarization of 83.80 mu C/cm(2), even exceeding that of the prototypic FPV material, BiFeO3. Quantitative theoretical analysis further indicates the asymmetric Ga 3d(z)(2)-O 2p(z) hybridization as the origin of the Pna2(1) ferroelectricity. In addition to the large displacive polarization, unusually small band gap (1.47 eV) and resultantly strong optical absorptions additionally differentiate beta-CuGaO2 from conventional ferroelectrics; this material is expected to overcome critical limitations of currently available FPVs.
- Keywords
- GAP OXIDE SEMICONDUCTOR; THIN-FILMS; OPTICAL-PROPERTIES; LITHIUM-NIOBATE; BAND-GAP; HEXAGONAL FERROELECTRICITY; SINGLE-CRYSTALS; BARIUM-TITANATE; EFFECTIVE-MASS; ABSORPTION
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/92027
- DOI
- 10.1021/acs.chemmater.7b03141
- ISSN
- 0897-4756
- Article Type
- Article
- Citation
- CHEMISTRY OF MATERIALS, vol. 29, no. 17, page. 7596 - 7603, 2017-09
- Files in This Item:
- There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.