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Philosophical Magazine A Volume 80, 2000 - Issue 7
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Original Articles

Geometry and electronic structure of [0001]/(1230) Σ = 7 symmetric tilt boundary in ZnO

Fumiyasu Oba Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto, 606-8501, Japan
,
Isao Tanaka Department of Energy Science and Technology, Kyoto University, Sakyo, Kyoto, 606-8501, Japan
,
Shigeto R. Nishitani Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto, 606-8501, Japan
,
Hirohiko Adachi Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto, 606-8501, Japan
,
Ben Slater Davy—Faraday Research Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, London, W1X 4BS, UK
&
David H. Gay Davy—Faraday Research Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, London, W1X 4BS, UK
Pages 1567-1581 | Received 05 Mar 1999, Accepted 21 Jul 1999, Published online: 11 Aug 2009

Citations (37)

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Naoya Shibata, Fumiyasu Oba, Takahisa Yamamoto & Yuichi Ikuhara . (2004) Structure, energy and solute segregation behaviour of [110] symmetric tilt grain boundaries in yttria-stabilized cubic zirconia. Philosophical Magazine 84:23, pages 2381-2415.
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Naoya Shibata, Fumiyasu Oba, Takahisa Yamamoto, Taketo Sakuma & Yuichi Ikuhara. (2003) Grain-boundary faceting at a = 3, [110]/{112} grain boundary in a cubic zirconia bicrystal. Philosophical Magazine 83:19, pages 2221-2246.
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Articles from other publishers (35)

Rebecca A Gallivan, Zachary H Aitken, Antoine Chamoun-Farah, Yong-Wei Zhang & Julia R Greer. (2023) Microstructure-driven mechanical and electromechanical phenomena in additively manufactured nanocrystalline zinc oxide. Nanotechnology 35:6, pages 065706.
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Xiaoxuan Zhang, Junjia He, Li Song & Benzheng Zhou. (2022) Electronic Structure of a Co-Doped ZnO [0001] ${\bar{12}30)$Σ=7 Grain Boundary. Electronic Structure of a Co-Doped ZnO [0001] ${\bar{12}30)$Σ=7 Grain Boundary.
Kazutoshi Inoue, Ji-Young Roh, Kazuaki Kawahara, Mitsuhiro Saito, Motoko Kotani & Yuichi Ikuhara. (2021) Arrangement of polyhedral units for [0001]-symmetrical tilt grain boundaries in zinc oxide. Acta Materialia 212, pages 116864.
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Yong-Hua Li, Qin Xia, Shu-Kuan Guo, Zhong-Quan Ma, Yu-Bo Gao, Xin-Gao Gong & Su-Huai Wei. (2015) O-O bonding stabilized zinc vacancy as origin of p-type doping on Σ7 ZnO grain boundary. Journal of Applied Physics 118:4.
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James A. Dawson & Isao Tanaka. (2014) Proton incorporation and trapping in ZrO 2 grain boundaries . J. Mater. Chem. A 2:5, pages 1400-1408.
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Omar Adjaoud, Katharina Marquardt & Sandro Jahn. (2012) Atomic structures and energies of grain boundaries in Mg2SiO4 forsterite from atomistic modeling. Physics and Chemistry of Minerals 39:9, pages 749-760.
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B. Feng, H. Hojo, T. Mizoguchi, H. Ohta, S. D. Findlay, Y. Sato, N. Shibata, T. Yamamoto & Y. Ikuhara. (2012) Atomic structure of a Σ3 [110]/(111) grain boundary in CeO2. Applied Physics Letters 100:7.
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Wen-Jay Lee, Jee-Gong Chang, Shin-Pon Ju, Meng-Hsiung Weng & Chia-Hung Lee. (2011) Structure-dependent mechanical properties of ultrathin zinc oxide nanowires. Nanoscale Research Letters 6:1.
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Wolfgang Körner, Paul D. Bristowe & Christian Elsässer. (2011) Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries. Physical Review B 84:4.
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T. Mitsuma, T. Tohei, N. Shibata, T. Mizoguchi, T. Yamamoto & Y. Ikuhara. (2011) Structures of a Σ = 9, [110]/{221} symmetrical tilt grain boundary in SrTiO3. Journal of Materials Science 46:12, pages 4162-4168.
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Ming Hu, Konstantinos P. Giapis & Dimos Poulikakos. (2011) Interfacial mixing during annealing of zinc oxide nanoparticle junctions. Applied Physics Letters 98:21.
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M. Sakamaki, N. Kawai, T. Miki, T. Kaneko, T. Konishi, T. Fujikawa, K. Amemiya, Y. Kitajima, Y. Kato, T. Muro, H. Yamauchi & M. Sakai. (2011) Observation of disorder-driven carrier localization by Auger resonant Raman scattering in -type doped ZnO . Physical Review B 83:15.
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H.-S. Lee, T. Mizoguchi, J. Mistui, T. Yamamoto, S.-J. L. Kang & Y. Ikuhara. (2011) Defect energetics in SrTiO symmetric tilt grain boundaries . Physical Review B 83:10.
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Wolfgang Körner & Christian Elsässer. (2010) First-principles density functional study of dopant elements at grain boundaries in ZnO. Physical Review B 81:8.
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J.W. Shin, J.Y. Lee, Y.S. No, T.W. Kim & W.K. Choi. (2011) Atomic arrangement variations of 30° in-plane rotation domain boundaries in ZnO thin films grown on Si substrates due to thermal annealing. Journal of Materials Research 24:6, pages 2006-2010.
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M. Imaeda, T. Mizoguchi, Y. Sato, H.-S. Lee, S. D. Findlay, N. Shibata, T. Yamamoto & Y. Ikuhara. (2008) Atomic structure, electronic structure, and defect energetics in grain boundaries of and . Physical Review B 78:24.
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X.W. Sun, Y.D. Chu, T. Song, Z.J. Liu, L. Zhang, X.G. Wang, Y.X. Liu & Q.F. Chen. (2007) Application of a shell model in molecular dynamics simulation to ZnO with zinc-blende cubic structure. Solid State Communications 142:1-2, pages 15-19.
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Yukio Sato, Takahisa Yamamoto & Yuichi Ikuhara. (2007) Atomic Structures and Electrical Properties of ZnO Grain Boundaries. Journal of the American Ceramic Society 90:2, pages 337-357.
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Sunao Sugihara & Kohjiro Nishiyama. (2007) Electronic Structures and Thermoelectricity of (Fe1-x,Tix)2O3. Journal of the Japan Society of Powder and Powder Metallurgy 54:5, pages 362-365.
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X.W. Sun, Z.J. Liu, Q.F. Chen, H.W. Lu, T. Song & C.W. Wang. (2006) Heat capacity of ZnO with cubic structure at high temperatures. Solid State Communications 140:5, pages 219-224.
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Yukio Sato, Teruyasu Mizoguchi, Fumiyasu Oba, Yuichi Ikuhara & Takahisa Yamamoto. (2005) Arrangement of multiple structural units in a [0001] tilt grain boundary in ZnO . Physical Review B 72:6.
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F. Oba, Y. Sato, T. Yamamoto, H. Ohta, H. Hosono & Y. Ikuhara. (2005) Effect of boundary plane on the atomic structure of [0001] Σ 7 tilt grain boundaries in ZnO. Journal of Materials Science 40:12, pages 3067-3074.
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Y. Sato, T. Mizoguchi, F. Oba, M. Yodogawa, T. Yamamoto & Y. Ikuhara. (2005) Atomic and electronic structure of [0001]/( $$\bar{1}\bar{2}30$$ ) Σ7 symmetric tilt grain boundary in ZnO bicrystal with linear current-voltage characteristic. Journal of Materials Science 40:12, pages 3059-3066.
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N. Shibata, F. Oba, T. Yamamoto & Y. Ikuhara. (2005) Systematic study of grain boundary atomistic structures and related properties in cubic zirconia bicrystals. Zeitschrift für Metallkunde 96:2, pages 177-185.
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Fumiyasu Oba, Hiromichi Ohta, Yukio Sato, Hideo Hosono, Takahisa Yamamoto & Yuichi Ikuhara. (2004) Atomic structure of [0001]-tilt grain boundaries in ZnO:  A high-resolution TEM study of fiber-textured thin films. Physical Review B 70:12.
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Fumiyasu Oba, Hiromichi Ohta, Hideo Hosono, Yukio Sato, Takahisa Yamamoto & Yuichi Ikuhara. (2004) Atomic Structure of Tilt Grain Boundaries in ZnO. Materia Japan 43:12, pages 985-985.
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Antoine Béré & Anna Serra. (2004) On the atomic structure of periodic [0 0 0 1] tilt boundaries in GaN: dislocation mobility and boundary-dislocation interaction. Materials Science and Engineering: A 365:1-2, pages 241-246.
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Jun Chen, Pierre Ruterana & Gérard Nouet. (2003) Structural units and low-energy configurations of [0001] tilt grain boundaries in GaN. Physical Review B 67:20.
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Fumiyasu Oba, Isao Tanaka & Hirohiko Adachi. 2003. DV-X@a for Advanced NANO materials and other Interesting Topics in Materials Science. DV-X@a for Advanced NANO materials and other Interesting Topics in Materials Science 175 186 .
Antoine Béré & Anna Serra. (2002) Structure of [0001] tilt boundaries in GaN obtained by simulation with empirical potentials. Physical Review B 66:8.
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Jun Chen, Pierre Ruterana & Gérard Nouet. (2011) Theoretical analysis of <0001> tilt grain boundaries in GaN at the atomic scale. MRS Proceedings 743.
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Helder S. Domingos & Paul D. Bristowe. (2001) Electronic structure of twist grain-boundaries in ZnO and the effect of Sb doping. Computational Materials Science 22:1-2, pages 38-43.
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Fumiyasu Oba, Shigeto R. Nishitani, Hirohiko Adachi, Isao Tanaka, Masanori Kohyama & Shingo Tanaka. (2001) Ab initio study of symmetric tilt boundaries in ZnO . Physical Review B 63:4.
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Fumiyasu Oba, Hirohiko Adachi & Isao Tanaka. (2011) Energetics and electronic structure of point defects associated with oxygen excess at a tilt boundary of ZnO. Journal of Materials Research 15:10, pages 2167-2175.
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Fumiyasu Oba, Shigeto R. Nishitani, Hirohiko Adachi, Isao Tanaka, Masanori Kohyama & Shingo Tanaka. (2011) Atomic and Electronic Structure of Symmetric Tilt Boundaries in ZnO. MRS Proceedings 654.
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