The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principle (Englisch)
- Neue Suche nach: Zhou, Y.
- Neue Suche nach: Zhang, Y.K.
- Neue Suche nach: Yang, Q.
- Neue Suche nach: Jiang, J.
- Neue Suche nach: Fan, P.
- Neue Suche nach: Liao, M.
- Neue Suche nach: Zhou, Y.C.
- Neue Suche nach: Zhou, Y.
- Neue Suche nach: Zhang, Y.K.
- Neue Suche nach: Yang, Q.
- Neue Suche nach: Jiang, J.
- Neue Suche nach: Fan, P.
- Neue Suche nach: Liao, M.
- Neue Suche nach: Zhou, Y.C.
In:
Computational Materials Science
;
167
;
143-150
;
2019
-
ISSN:
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principle
-
Beteiligte:Zhou, Y. ( Autor:in ) / Zhang, Y.K. ( Autor:in ) / Yang, Q. ( Autor:in ) / Jiang, J. ( Autor:in ) / Fan, P. ( Autor:in ) / Liao, M. ( Autor:in ) / Zhou, Y.C. ( Autor:in )
-
Erschienen in:Computational Materials Science ; 167 ; 143-150
-
Verlag:
- Neue Suche nach: Elsevier B.V.
-
Erscheinungsdatum:20.05.2019
-
Format / Umfang:8 pages
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 167
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1
-
Composition dependence of solid-liquid interfacial energy of Fe-Cr binary alloy from molecular dynamics simulationsUeno, Kensho / Shibuta, Yasushi et al. | 2019
- 8
-
Theoretical investigations of a new two-dimensional carbon allotrope: hP-C23-2DLu, Yihua / Zhu, Xi / Wang, Min et al. | 2019
- 13
-
Characterization of two-dimensional Ga1−xAlxN ordered alloys with varying chemical compositionKanli, M. / Onen, A. / Mogulkoc, A. / Durgun, E. et al. | 2019
- 19
-
High-throughput thermodynamic calculations of phase equilibria in solidified 6016 Al-alloysPh.D. Zhang, Cong / Jiang, Xue / Zhang, Ruijie / Wang, Xin / Yin, Haiqing / Qu, Xuanhui / Liu, Zi-Kui et al. | 2019
- 25
-
Hoobas: A highly object-oriented builder for molecular dynamicsGirard, Martin / Ehlen, Ali / Shakya, Anisha / Bereau, Tristan / de la Cruz, Monica Olvera et al. | 2019
- 34
-
The role of the grain boundary in the fracture toughness of aluminum bicrystalVelilla-Díaz, Wilmer / Pacheco-Sanjuan, Alejandro / Zambrano, Habib R. et al. | 2019
- 42
-
A shape interpolation procedure: Application to creating explicit grain structure models based on partial data setsKnysh, Paul / Sasaki, Kanta / Furushima, Tsuyoshi / Knezevic, Marko / Korkolis, Yannis P. et al. | 2019
- 52
-
Numerical simulation of solute undercooling influenced columnar to equiaxed transition of Fe-C alloy with cellular automatonWang, Weiling / Wang, Zhaohui / Yin, Shiwei / Luo, Sen / Zhu, Miaoyong et al. | 2019
- 65
-
A non-isothermal phase field study of the shape memory effect and pseudoelasticity of polycrystalline shape memory alloysSun, Yuanzun / Luo, Jun / Zhu, Jingming / Zhou, Kun et al. | 2019
- 77
-
Investigation of the 3D crystalline network impact on the elastic properties of Semi-Crystalline Polymers from a multi-scale modelling approachRoguet, E. / Akhan, K. / Brusselle-Dupend, N. / Le Corre, V. / Sidhom, M. / Cangemi, L. / Moreaud, M. / Clavier, G. / Lachet, V. / Rousseau, B. et al. | 2019
- 85
-
A mixture of experts approach to handle ambiguities in parameter identification problems in material modelingMorand, Lukas / Helm, Dirk et al. | 2019
- 92
-
Interstitialcy diffusion of fluoride ions in LaOF by DFT-based first-principles calculationsOka, Mayuko / Kamisaka, Hideyuki / Fukumura, Tomoteru / Hasegawa, Tetsuya et al. | 2019
- 100
-
Hydrogen-enhanced decohesion mechanism of the special 5(012)[100] grain boundary in Ni with Mo and C solutesHe, Shuang / Ecker, Werner / Pippan, Reinhard / Razumovskiy, Vsevolod I. et al. | 2019
- 111
-
Improving ductility of nanoporous metallic glassesZhou, Xiaoling / Wang, Longqi / Chen, C.Q. et al. | 2019
- 118
-
Atomistic relaxation process in a Ni3Al ordered phase using path probability method with vacancy mechanismsYamada, Ryo / Mohri, Tetsuo et al. | 2019
- 123
-
Reconstruction of three-dimensional anisotropic media based on analysis of morphological completenessGao, MingLiang / Li, XiangQun / Xu, YongSheng / Wu, Tao / Wang, JianHua et al. | 2019
- 136
-
Strain dependent electronic and superconducting properties of MFeAs (M = Li/Na) thin filmsWang, Xin / Li, Hua / Dong, Zhengchao / Zhong, Chonggui / Liu, Junming et al. | 2019
- 143
-
The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principleZhou, Y. / Zhang, Y.K. / Yang, Q. / Jiang, J. / Fan, P. / Liao, M. / Zhou, Y.C. et al. | 2019
- 151
-
A model to predict the preferred orientation relationships of in situ synthesized TiB in titanium matrix compositesQin, Jining et al. | 2019
- 160
-
A coarse grained simulation study on the morphology of ABA triblock copolymersOnaran, Gulsah / Yurtsever, Mine / Yilgor, Iskender et al. | 2019
- 168
-
Investigating the effect of elastic anisotropy on martensitic phase transformations at the nanoscaleJavanbakht, Mahdi / Adaei, Mojtaba et al. | 2019
- 183
-
First-principles calculations of initial Cr deposition on the Fe surfaceChen, Bao / Zhang, Chuan-Hui / Sun, Dong-bai / Jin, Ying et al. | 2019
- 191
-
Pressure-induced novel metallic phase in non-stoichiometric cadmium selenides: A first-principles studyCui, Yingqi / Gao, Jinhai / Zhang, Jie / Li, Chenggang / Tang, Yanan / Tian, Hao et al. | 2019
- 198
-
Generating 3D virtual microstructures and statistically equivalent RVEs for subgranular gamma-gamma’ microstructures of nickel-based superalloysPinz, M. / Weber, G. / Ghosh, S. et al. | 2019
- 215
-
Formalizing atom-typing and the dissemination of force fields with foyerKlein, Christoph / Summers, Andrew Z. / Thompson, Matthew W. / Gilmer, Justin B. / McCabe, Clare / Cummings, Peter T. / Sallai, Janos / Iacovella, Christopher R. et al. | 2019
- 228
-
Electronic band gaps corrections using total energy with DFT/LDA-½ quasi-particle approximationRibeiro, M. Jr. et al. | 2019
- 237
-
Molecular dynamics study onwater and ions on the surface of graphene oxide sheet: Effects of functional groupsHou, Dongshuai / Zhang, Qingen / Wang, Muhan / Zhang, Jianhua / Wang, Pan / Ge, Yiming et al. | 2019
- 248
-
Implementation and optimization of protracted colored noise dynamics to block copolymer grafted nanoparticlesPeters, Andrew J. et al. | 2019
- 257
-
Calculation of the anisotropic coefficients of thermal expansion: A first-principles approachPike, Nicholas A. / Løvvik, Ole M. et al. | 2019
- ii
-
Editorial Board| 2019