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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.

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Journal ArticleDOI

Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe

TL;DR: In this article, the authors used screened hybrid density functional theory to study both intrinsic and extrinsic defects in LaCuOSe, and identify the source of charge carriers in this system.
Journal ArticleDOI

Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment

TL;DR: In this paper, the authors presented a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site.
Journal Article

Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment

TL;DR: In this paper, the authors presented a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site.
Journal ArticleDOI

On the metallic conductivity of the delafossites PdCoO2 and PtCoO2

TL;DR: In this article, the origin of the quasi-two-dimensional behavior of PdCoO2 and PtCoO 2 was investigated by means of electronic structure calculations using density functional theory in the generalized gradient approximation as well as the new full-potential augmented spherical wave method.
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