Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1563003 | Computational Materials Science | 2010 | 6 Pages |
Abstract
To investigate the local structure of InN, In2O3 and their alloys, synchrotron (In L3-edge) X-ray absorption near edge structures (XANES) of indium oxynitride samples with varied O contents are used in conjunction with first-principles calculations. A good agreement between the measured and simulated spectra is obtained. It is found that the spectra are sensitive to the coordination number of the In atoms, i.e., fourfold for InN-like structures and sixfold for In2O3-like structures. Moreover, the spectra are quite insensitive to the species (N or O) around In. The calculated band structures and density of states are also presented and discussed.
Keywords
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Jiraroj T-Thienprasert, Saroj Rujirawat, Jiti Nukeaw, Sukit Limpijumnong,