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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.read more
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First-principles study on electronic and optical properties of Mg-N dual-acceptor codoped CuAlO 2
TL;DR: In this article, the first-principles calculation based on density functional theory was used to investigate the electronic and optical properties of various elements doped of CuAlO2, and the results suggest that the possibility of enhancing the hole concentration by Mg-N dual-acceptor codoping which will be beneficial to the application of Cu-O2 in optoelectronic devices.
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First-principles simulations on the structural, mechanical and thermodynamic properties of α, β, and h-CuGaO2
Changwen Ye,Bing Liao,Rui Gong +2 more
TL;DR: In this article, the structural, elastic, mechanical and thermodynamic properties of α, β, and h-CuGaO2 were investigated based on first-principles calculations.
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Strategies to break the trade-off between infrared transparency and conductivity
TL;DR: In this paper , the fundamental physics of infrared transparency and conductivity are analyzed and the effect of defect introduction, energy band modulation and surface modification on the performance improvement of traditional infrared TCMs are summarized.
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First-Principles Calculations on Structural, Electronic, and Optical Properties of 2H-CuAlO2
TL;DR: In this paper, the structural, electronic and optical properties of 2H-CuAlO2 were computed using the plane-wave ultrasoft pseudopotential technique based on the first-principles density functional theory.
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WITHDRAWN: Vacancies effect on structural, electronic and mechanical properties of delafossite CuAlO2
TL;DR: In this article, the first principle calculation method was used to search the ground states and supply the corresponding electronic properties of delafossite-structured CuAlO2 materials with and without vacancy defects.