Multiferroic BiFeO3 for Photovoltaic Applications : A First-principles Study

Multiferroic BiFeO3 for Photovoltaic Applications : A First-principles Study

フォーマット:

論文

責任表示:

Muhammad, Rifqi Al Fauzan ; Ishii, Fumiyuki ; Saito, Mineo

言語:

英語

出版情報:

Kanazawa e-Publishing, 2015-05-31

著者名:

掲載情報:

Recent development in computational science

ISSN:

2223-0785

巻:

6

開始ページ:

94

終了ページ:

99

バージョン:

publisher

概要:

Ferroelectric materials are new candidates for photovoltaic materials. Ferroelectrics can produce photocurrents without using p-n junction which is necessary for conventional photo-voltaic devices. BiFeO3 is one of the most promising multif … erroic materials having band gap of 2.5 eV. This band gap is too wide to be used as photovoltaic devices, therefore lower band gap is necessary. In order to reduce BiFeO3 band gap, we carry out a ﬁrst-principles calculation. We study Cu substitution impurities. We introduce a single Cu atom in the 2x2x2 supercell and we ﬁnd that the band gap is reduced by 0.039 eV. We expect the existence of optical transition energy between valence and impurity band with energy value 1.232 eV lower than the band gap of BiFeO3.<br />Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan 続きを見る

URL:

http://hdl.handle.net/2297/48733

タイトル・著者・出版者が同じ資料

詳細

主題:	BiFeO3; Cu substitution impurities; band gap; photovoltaics
受理日:	2015-05-31

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