Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis

Masahiro Kunisu; Fumiyasu Oba; Hidekazu Ikeno; Isao Tanaka; Tomoyuki Yamamoto

doi:10.1063/1.1885175

Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis

Masahiro Kunisu, Fumiyasu Oba, Hidekazu Ikeno, Isao Tanaka^*, Tomoyuki Yamamoto

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

48 Citations (Scopus)

Abstract

High-resolution near-edge x-ray absorption fine structure (NEXAFS) at Mn K edge is employed to probe the local environment of Mn dopant in ZnO. First-principles supercell calculations are systematically made to obtain theoretical NEXAFS. Mn is found to substitute for Zn up to 5 at.%Mn in polycrystalline samples sintered at 1623 K in air. Presence of Mn3 O4 is apparent for samples with higher Mn content. The NEXAFS does not change in the range of Mn concentration from 0.01 to 5 at. %, indicating the absence of Mn precipitates. The results are confirmed by examining the polarization dependence of the NEXAFS for a 5 at. % -doped ZnO thin film.

Original language	English
Article number	121902
Pages (from-to)	1-3
Number of pages	3
Journal	Applied Physics Letters
Volume	86
Issue number	12
DOIs	https://doi.org/10.1063/1.1885175
Publication status	Published - 2005 Mar 21
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.1885175

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title = "Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis",

abstract = "High-resolution near-edge x-ray absorption fine structure (NEXAFS) at Mn K edge is employed to probe the local environment of Mn dopant in ZnO. First-principles supercell calculations are systematically made to obtain theoretical NEXAFS. Mn is found to substitute for Zn up to 5 at.%Mn in polycrystalline samples sintered at 1623 K in air. Presence of Mn3 O4 is apparent for samples with higher Mn content. The NEXAFS does not change in the range of Mn concentration from 0.01 to 5 at. %, indicating the absence of Mn precipitates. The results are confirmed by examining the polarization dependence of the NEXAFS for a 5 at. % -doped ZnO thin film.",

author = "Masahiro Kunisu and Fumiyasu Oba and Hidekazu Ikeno and Isao Tanaka and Tomoyuki Yamamoto",

note = "Funding Information: This work was supported by three projects by Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT). They are the Computational Materials Science Unit in Kyoto University, the Grant-in-Aid for Scientific Research on Priority Areas (No. 751), and the 21st Century COE Program. Experimental supports by Dr. T. Okajima of Saga Light Source and T. Uruga of JASRI/SPring8 are gratefully acknowledged under Proposal No. 2003B0518-NXa-np and 2004A0401-NXa-np.",

year = "2005",

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doi = "10.1063/1.1885175",

language = "English",

volume = "86",

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T1 - Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis

AU - Kunisu, Masahiro

AU - Oba, Fumiyasu

AU - Ikeno, Hidekazu

AU - Tanaka, Isao

AU - Yamamoto, Tomoyuki

N1 - Funding Information: This work was supported by three projects by Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT). They are the Computational Materials Science Unit in Kyoto University, the Grant-in-Aid for Scientific Research on Priority Areas (No. 751), and the 21st Century COE Program. Experimental supports by Dr. T. Okajima of Saga Light Source and T. Uruga of JASRI/SPring8 are gratefully acknowledged under Proposal No. 2003B0518-NXa-np and 2004A0401-NXa-np.

PY - 2005/3/21

Y1 - 2005/3/21

N2 - High-resolution near-edge x-ray absorption fine structure (NEXAFS) at Mn K edge is employed to probe the local environment of Mn dopant in ZnO. First-principles supercell calculations are systematically made to obtain theoretical NEXAFS. Mn is found to substitute for Zn up to 5 at.%Mn in polycrystalline samples sintered at 1623 K in air. Presence of Mn3 O4 is apparent for samples with higher Mn content. The NEXAFS does not change in the range of Mn concentration from 0.01 to 5 at. %, indicating the absence of Mn precipitates. The results are confirmed by examining the polarization dependence of the NEXAFS for a 5 at. % -doped ZnO thin film.

AB - High-resolution near-edge x-ray absorption fine structure (NEXAFS) at Mn K edge is employed to probe the local environment of Mn dopant in ZnO. First-principles supercell calculations are systematically made to obtain theoretical NEXAFS. Mn is found to substitute for Zn up to 5 at.%Mn in polycrystalline samples sintered at 1623 K in air. Presence of Mn3 O4 is apparent for samples with higher Mn content. The NEXAFS does not change in the range of Mn concentration from 0.01 to 5 at. %, indicating the absence of Mn precipitates. The results are confirmed by examining the polarization dependence of the NEXAFS for a 5 at. % -doped ZnO thin film.

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JO - Applied Physics Letters

JF - Applied Physics Letters

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Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis

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