The impact of orbital hybridization on the electronic structure of crystalline InGaZnO: a new perspective on the compositional dependence

Cited 7 time in webofscience Cited 0 time in scopus
329 Viewed 32 Downloaded
Title
The impact of orbital hybridization on the electronic structure of crystalline InGaZnO: a new perspective on the compositional dependence
Author(s)
Kang Y.; Sanghyun Lee; Hasung Sim; Chang Hee Sohn; Won-Goo Park; Song S.J.; Kim U.K.; Hwang C.S.; Seungwu Han; Deok-Yong Cho
Publication Date
2014-11
Journal
JOURNAL OF MATERIALS CHEMISTRY C, v.2, no.43, pp.9196 - 9204
Publisher
ROYAL SOC CHEMISTRYROYAL SOC CHEMISTRY
Abstract
We report an investigation of the electronic structure of crystalline InGaZnO (IGZO) using X-ray absorption spectroscopy (XAS) and ab initio density functional theory calculations. The electronic properties of the conduction band vary significantly with the composition of InGaZnO4 and In2Ga2ZnO7, and this is strongly correlated with the XAS spectra. Detailed analyses of the orbital character reveal crystal field splitting under characteristic local structural distortions of the ZnO5 coordinate bonds, which breaks the In p/d orbital degeneracy and preferentially lowers the energies of the In pz and d(3z2 r2, xz/yz) orbitals near the Zn ions. The In s–p/d orbitals hybridize and contribute to the low-energy features of the In 5s orbitals. Therefore, the strong dependence of the electronic structure on the composition can be understood in terms of the abundance of distorted ZnO5 coordination near the In3+ ions. In the case of amorphous IGZO, however, the XAS study and the ab initio calculations consistently show that the dependence of the electronic structure on the composition is significantly weaker than it is for crystalline IGZO, which is due to the lack of distinct symmetry in the s–p/d mixed orbitals. This work demonstrates that orbital hybridization is significant in determining the detailed low-energy electronic structure of crystalline IGZO.
URI
https://pr.ibs.re.kr/handle/8788114/867
ISSN
2050-7526
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
Files in This Item:
52.pdfDownload

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse