Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations (English)
- New search for: Bennett, Joseph W.
- New search for: Rabe, Karin M.
- New search for: Bennett, Joseph W.
- New search for: Rabe, Karin M.
In:
Journal of Solid State Chemistry
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195
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21-31
;
2012
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations
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Contributors:Bennett, Joseph W. ( author ) / Rabe, Karin M. ( author )
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Published in:Journal of Solid State Chemistry ; 195 ; 21-31
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Publisher:
- New search for: Elsevier Inc.
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Publication date:2012-01-01
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Size:11 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 195
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Polar inorganic materials: Opportunities and challengesShiv Halasyamani, P. et al. | 2012
- 2
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A beginner's guide to the modern theory of polarizationSpaldin, Nicola A. et al. | 2012
- 11
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Polar octahedral rotations: A path to new multifunctional materialsBenedek, Nicole A. / Mulder, Andrew T. / Fennie, Craig J. et al. | 2012
- 21
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Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorationsBennett, Joseph W. / Rabe, Karin M. et al. | 2012
- 32
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Polar and nonpolar phases of BiMO3: A reviewBelik, Alexei A. et al. | 2012
- 41
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From spin induced ferroelectricity to dipolar glasses: Spinel chromites and mixed delafossitesMaignan, A. / Martin, C. / Singh, K. / Simon, Ch. / Lebedev, O.I. / Turner, S. et al. | 2012
- 50
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Spin–lattice coupling in iron jarositeBuurma, A.J.C. / Handayani, I.P. / Mufti, N. / Blake, G.R. / van Loosdrecht, P.H.M. / Palstra, T.T.M. et al. | 2012
- 55
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Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate systemSchiemer, Jason / Withers, Ray L. / Liu, Yun / Yi, Zhiguo et al. | 2012
- 63
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Crystal structures and second-order NLO properties of borogermanatesZhang, Jian-Han / Kong, Fang / Xu, Xiang / Mao, Jiang-Gao et al. | 2012
- 73
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Structure, growth and properties of a novel polar material, KSr4B3O9Zhao, Wenwu / Pan, Shilie / Wang, Yongjiang / Yang, Zhihua / Wang, Xian / Han, Jian et al. | 2012
- 79
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New nonlinear optical potassium iodate K[IO3] and borates K3[B6O10]Br, KTa[B4O6(OH)4](OH)2·1.33H2O—Synthesis, structures and relation to the propertiesBelokoneva, Elena L. / Stefanovich, Sergej Yu / Dimitrova, Olga V. et al. | 2012
- 86
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Inducing polarity in [VO3]n n− chain compounds using asymmetric hydrogen-bonding networksSmith, Matthew D. / Blau, Samuel M. / Chang, Kelvin B. / Tran, Thanh Thao / Zeller, Matthias / Halasyamani, P. Shiv / Schrier, Joshua / Norquist, Alexander J. et al. | 2012
- 94
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Novel 3D bismuth-based coordination polymers: Synthesis, structure, and second harmonic generation propertiesWibowo, Arief C. / Smith, Mark D. / Yeon, Jeongho / Halasyamani, P. Shiv / zur Loye, Hans-Conrad et al. | 2012
- 101
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Noncentrosymmetric salt inclusion oxides: Role of salt lattices and counter ions in bulk polarityWest, J. Palmer / Hwu, Shiou-Jyh et al. | 2012
- 108
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Small non-polar complexes exhibiting significant piezoelectric properties: Solvothermal synthesis and crystal structures of MO5V(tren)·H2O (M=Mo and W; tren=tris(2-aminoethyl)amine)Rasmussen, M. / Näther, C. / Bismayer, U. / Bensch, W. et al. | 2012
- 115
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Dielectric properties of a polar ZnSnO3 with LiNbO3-type structureInaguma, Yoshiyuki / Sakurai, Daichi / Aimi, Akihisa / Yoshida, Masashi / Katsumata, Tetsuhiro / Mori, Daisuke / Yeon, Jeongho / Halasyamani, P. Shiv et al. | 2012
- 120
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Anisotropic thermal properties of the polar crystal Cs2TeMo3O12Zhang, Junjie / Zhang, Zhonghan / Sun, Youxuan / Zhang, Chengqian / Tao, Xutang et al. | 2011
- 125
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Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7Atuchin, V.V. / Gavrilova, T.A. / Grivel, J.-C. / Kesler, V.G. / Troitskaia, I.B. et al. | 2012
- 132
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Orientational order of [VOF5]2− and [NbOF5]2− polar units in chainsGautier, Romain / Donakowski, Martin D. / Poeppelmeier, Kenneth R. et al. | 2012
- 140
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The motley family of polar compounds (MV)[M(X5−xX′x)] based on anionic chains of trans-connected M(III)(X,X′)6 octahedra (M=Bi, Sb; X, X′=Cl, Br, I) and methylviologen (MV) dicationsLeblanc, Nicolas / Mercier, Nicolas / Allain, Magali / Toma, Oksana / Auban-Senzier, Pascale / Pasquier, Claude et al. | 2012
- 149
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Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedraKim, Eun-ah / Lee, Dong Woo / Ok, Kang Min et al. | 2011
- 155
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Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materialsMcMillen, Colin D. / Emirdag-Eanes, Mehtap / Stritzinger, Jared T. / Kolis, Joseph W. et al. | 2012
- 161
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Na2Ge2Se5: A highly nonlinear optical materialChung, In / Song, Jung-Hwan / Jang, Joon I. / Freeman, Arthur J. / Kanatzidis, Mercouri G. et al. | 2012
- 166
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First-principles studies on linear and nonlinear optical effects in Ln 4GaSbS9 (Ln=Ce–Nd, Sm, Gd–Tm, Lu)Zhou, Liu-Jiang / Chen, Ling / Li, Jun-Qian / Wu, Li-Ming et al. | 2012
- 172
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BaGa2GeX 6(X=S, Se): New mid-IR nonlinear optical crystals with large band gapsLin, Xinsong / Guo, Yifeng / Ye, Ning et al. | 2012
- IFC
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editorial board/cover legend| 2012
- iii
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Table of Contents - Web Colour Only| 2012