Oxygen segregation at coherent grain boundaries of cubic boron nitride

被引：5

作者：

Chen, Chunlin ^{[1
]}

Lv, Shuhui ^{[1
]}

Wang, Zhongchang ^{[1
]}

Saito, Mitsuhiro ^{[1
]}

Shibata, Naoya ^{[2
,3
]}

Taniguchi, Takashi ^{[4
]}

Ikuhara, Yuichi ^{[1
,2
]}

机构：

[1] Tohoku Univ, Adv Inst Mat Res, World Premier Int Res Ctr, Aoba Ku, Sendai, Miyagi 9808577, Japan

[2] Univ Tokyo, Inst Engn Innovat, Bunkyo Ku, Tokyo 1138656, Japan

[3] Japan Sci & Technol Agcy, PRESTO, Kawaguchi, Saitama 3320012, Japan

[4] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan

来源：

APPLIED PHYSICS LETTERS | 2013年 / 102卷 / 09期

基金：

日本学术振兴会;

关键词：

FILMS;

D O I：

10.1063/1.4795300

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Segregation of even a trace amount of impurities to grain boundaries (GBs) can often modify properties of polycrystalline materials. Here, we demonstrate, by a combined study of advanced transmission electron microscopy with atomistic first-principles calculations to two coherent Sigma 9 and Sigma 3 GBs of cubic boron nitride (BN), that the two GBs are inclined to trap oxygen, which induces notable electronic states at Fermi level in the forbidden band gap of bulk BN and lowers the GB adhesion energies significantly. Such GB weakening by oxygen segregation is attributed to the lessened charge transfer between grains and more ionic bonding nature at GB. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4795300]

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页数：5

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