Electronic structure and insulating gap in epitaxial VO 2 polymorphs

Lee, Shinbuhm; Meyer, Tricia L.; Sohn, Changhee; Lee, Donghwa; Nichols, John; Lee, Dongkyu; Seo, Sung S. Ambrose; Freeland, John W.; Noh, Tae Won; Lee, Ho Nyung

doi:10.1063/1.4939004

Title: Electronic structure and insulating gap in epitaxial VO ₂ polymorphs

Journal Article · Tue Dec 01 00:00:00 EST 2015 · APL Materials

DOI:https://doi.org/10.1063/1.4939004· OSTI ID:1233950

Lee, Shinbuhm; Meyer, Tricia L.; Sohn, Changhee;

; Nichols, John; Lee, Dongkyu; Seo, Sung S. Ambrose;

; Noh, Tae Won; Lee, Ho Nyung

Here, determining the origin of the insulating gap in the monoclinic VO₂(M1) is a long-standing issue. The difficulty of this study arises from the simultaneous occurrence of structural and electronic transitions upon thermal cycling. Here, we compare the electronic structure of the M1 phase with that of single crystalline insulating VO₂(A) and VO₂(B) thin films to better understand the insulating phase of VO₂. As these A and B phases do not undergo a structural transition upon thermal cycling, we comparatively study the origin of the gap opening in the insulating VO₂ phases. By x-ray absorption and optical spectroscopy, we find that the shift of unoccupied t_2g orbitals away from the Fermi level is a common feature, which plays an important role for the insulating behavior in VO₂ polymorphs. The distinct splitting of the half-filled t_2g orbital is observed only in the M1 phase, widening the bandgap up to ~0.6 eV. Our approach of comparing all three insulating VO₂ phases provides insight into a better understanding of the electronic structure and the origin of the insulating gap in VO₂.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725

OSTI ID:: 1233950

Alternate ID(s):: OSTI ID: 1265959; OSTI ID: 1421224

Journal Information:: APL Materials, Journal Name: APL Materials Vol. 3 Journal Issue: 12; ISSN 2166-532X

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 36 works

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Title: Electronic structure and insulating gap in epitaxial VO ₂ polymorphs