Journal ArticleDOI
Bipolar doping and band-gap anomalies in delafossite transparent conductive oxides.
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TLDR
It is shown that both properties are results of a large disparity between the fundamental gap and the apparent optical gap, a finding that could lead to a breakthrough in the study of bipolarly dopable wide-gap semiconductor oxides.Abstract:
Doping wide-gap materials p type is highly desirable but often difficult. This makes the recent discovery of p-type delafossite oxides, CuM(III)O2, very attractive. The CuM(III)O2 also show unique and unexplained physical properties: Increasing band gap from M(III) = Al,Ga, to In, not seen in conventional semiconductors. The largest gap CuInO2 can be mysteriously doped both n and p type but not the smaller gaps CuAlO2 and CuGaO2. Here, we show that both properties are results of a large disparity between the fundamental gap and the apparent optical gap, a finding that could lead to a breakthrough in the study of bipolarly dopable wide-gap semiconductor oxides.read more
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Journal ArticleDOI
Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory
Nicholas F. Quackenbush,Jeremy P. Allen,David O. Scanlon,Shawn Sallis,J. A. Hewlett,Abhishek Nandur,Bo Chen,Kevin E. Smith,Conan Weiland,Daniel A. Fischer,Joseph C. Woicik,Bruce White,Graeme W. Watson,Louis F. J. Piper +13 more
TL;DR: The origin of the almost unique combination of optical transparency and the ability to bipolar dope tin monoxide was explained using a combination of soft and hard X-ray photoemission spectroscopy.
Journal ArticleDOI
Design and exploration of semiconductors from first principles: A review of recent advances
Journal ArticleDOI
Cu(I)-based delafossite compounds as photocathodes in p-type dye-sensitized solar cells
TL;DR: This article reviews the most recent progress in utilizing Cu(I)-based delafossite compounds, CuMO2 (M = Al, Ga or Cr), as photocathodes in p-DSSCs and provides an insight into these materials and their applications in the p- DSSCs.
Journal ArticleDOI
Electronic structure of transparent oxides with the Tran?Blaha modified Becke?Johnson potential
TL;DR: It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.