First principles study on the electronic structure and properties of Sr- and Mg-Doped LaGaO3

Triati Dewi Kencana Wungu; Mamoru Sakaue; Susan Meñez Aspera; Tran Linh Phan Thuy; Musa Alaydrus; Hideaki Kasai; Tatsumi Ishihara

doi:10.1149/05701.2715ecst

First principles study on the electronic structure and properties of Sr- and Mg-Doped LaGaO₃

Triati Dewi Kencana Wungu, Mamoru Sakaue, Susan Meñez Aspera, Tran Linh Phan Thuy, Musa Alaydrus, Hideaki Kasai, Tatsumi Ishihara

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5 Citations (Scopus)

Abstract

The structure and electronic properties of Sr- and Mg- doped LaGaO ₃ was studied by employing first-principles calculations based on density functional theory (DFT) to elucidate the effect of doping and oxygen vacancy formation. The density of states analysis shows the system to be an insulator and becomes a wide gap semiconductor after the oxygen vacancy formation accompanied by emergence of a new state above the Fermi energy due to electron donation from the dopant.

Original language	English
Pages (from-to)	2715-2722
Number of pages	8
Journal	ECS Transactions
Volume	57
Issue number	1
DOIs	https://doi.org/10.1149/05701.2715ecst
Publication status	Published - 2013

All Science Journal Classification (ASJC) codes

Engineering(all)

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abstract = "The structure and electronic properties of Sr- and Mg- doped LaGaO 3 was studied by employing first-principles calculations based on density functional theory (DFT) to elucidate the effect of doping and oxygen vacancy formation. The density of states analysis shows the system to be an insulator and becomes a wide gap semiconductor after the oxygen vacancy formation accompanied by emergence of a new state above the Fermi energy due to electron donation from the dopant.",

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AU - Wungu, Triati Dewi Kencana

AU - Sakaue, Mamoru

AU - Aspera, Susan Meñez

AU - Thuy, Tran Linh Phan

AU - Alaydrus, Musa

AU - Kasai, Hideaki

AU - Ishihara, Tatsumi

PY - 2013

Y1 - 2013

N2 - The structure and electronic properties of Sr- and Mg- doped LaGaO 3 was studied by employing first-principles calculations based on density functional theory (DFT) to elucidate the effect of doping and oxygen vacancy formation. The density of states analysis shows the system to be an insulator and becomes a wide gap semiconductor after the oxygen vacancy formation accompanied by emergence of a new state above the Fermi energy due to electron donation from the dopant.

AB - The structure and electronic properties of Sr- and Mg- doped LaGaO 3 was studied by employing first-principles calculations based on density functional theory (DFT) to elucidate the effect of doping and oxygen vacancy formation. The density of states analysis shows the system to be an insulator and becomes a wide gap semiconductor after the oxygen vacancy formation accompanied by emergence of a new state above the Fermi energy due to electron donation from the dopant.

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JF - ECS Transactions

SN - 1938-5862

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First principles study on the electronic structure and properties of Sr- and Mg-Doped LaGaO₃

Abstract

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