Electronic structures and magnetism of Cr3Z (Z=Si, Ge, Sb) with DO3 structures (English)
- New search for: Zhang, X. M.
- New search for: Dai, X. F.
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- New search for: Liu, G. D.
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In:
COMPUTATIONAL MATERIALS SCIENCE
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65
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456-460
;
2012
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ISSN:
- Article (Journal) / Print
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Title:Electronic structures and magnetism of Cr3Z (Z=Si, Ge, Sb) with DO3 structures
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Contributors:Zhang, X. M. ( author ) / Dai, X. F. ( author ) / Jia, H. Y. ( author ) / Chen, G. F. ( author ) / Liu, H. Y. ( author ) / Luo, H. Z. ( author ) / Li, Y. ( author ) / Yu, X. ( author ) / Liu, G. D. ( author ) / Wang, W. H. ( author )
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 65 ; 456-460
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2012-01-01
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Size:5 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 620.1 / 510
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Table of contents – Volume 65
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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First-principles study on the magnetic properties of six potential half-metallic ferromagnets: Alkaline-earth (Ca, Sr) doped XC (X =Si, Ge, Sn)Wei, Xiao-Ping / Deng, Jian-Bo / Deng, Hong / Chu, Shi-Bin / Hu, Xian-Ru et al. | 2012
- 6
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Ab initio study of electronic structure and magnetic properties of MFe3N (M=Ru and Os)Hocine, K. / Rabah, M. / Rached, D. / Djili, S. / Baltache, H. et al. | 2012
- 13
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Simulation of flow field and particle trajectory of radio frequency inductively coupled plasma spheroidizationLu, Xin / Zhu, Lang-ping / Zhang, Bing / Zhang, Rui-jie / He, Xin-bo / Qu, Xuan-hui et al. | 2012
- 19
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An analytical model for predicting the effective properties of magneto-electro-elastic (MEE) compositesPakam, Naresh / Arockiarajan, A. et al. | 2012
- 29
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Modeling the effect of tool edge radius on contact zone in nanomachiningHosseini, Seyed Vahid / Vahdati, Mehrdad et al. | 2012
- 37
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Compressive properties of lotus-type porous ironVesenjak, Matej / Kovačič, Aljaž / Tane, Masakazu / Borovinšek, Matej / Nakajima, Hideo / Ren, Zoran et al. | 2012
- 44
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Ab initio modeling of metallic Pd80Si20 glassDurandurdu, Murat et al. | 2012
- 48
-
Numerical simulation of the anisotropic behavior of 2017 aluminum alloySaı¨, Kacem / Taleb, Lakhdar / Cailletaud, Georges et al. | 2012
- 58
-
First principles study on structural, electronic and elastic properties of AgX and AuX (X=Mg, Sc, Zn and Cd) intermetallic compoundsChouhan, Sunil Singh / Pagare, Gitanjali / Sanyal, S.P. / Rajagopalan, M. et al. | 2012
- 66
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Simulation of mode I delamination propagation in multidirectional composites with R-curve effects using VCCT methodShokrieh, M.M. / Rajabpour-Shirazi, H. / Heidari-Rarani, M. / Haghpanahi, M. et al. | 2012
- 74
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Size-dependent free flexural vibration behavior of functionally graded nanoplatesNatarajan, S. / Chakraborty, S. / Thangavel, M. / Bordas, S. / Rabczuk, T. et al. | 2012
- 81
-
First-principles study of phonons and intrinsic dielectric response of Ba(Ni1/3Ta2/3)O3Dai, Jian-Qing / Song, Yu-Min / Zhang, Hu et al. | 2012
- 85
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Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithmHuang, X.H. / He, X.Q. et al. | 2012
- 91
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Predicting the flow behavior of metals under different strain rate and temperature through phenomenological modelingPaul, Surajit Kumar et al. | 2012
- 100
-
Structure and electronic properties of lead-free KTa1− xNbxO3: Accurate Wu–Cohen and screened-exchange studyShen, Yanqing / Zhou, Zhongxiang et al. | 2012
- 104
-
Graphene-like titanium carbides and nitrides Tin +1Cn, Tin +1Nn (n =1, 2, and 3) from de-intercalated MAX phases: First-principles probing of their structural, electronic properties and relative stabilityShein, I.R. / Ivanovskii, A.L. et al. | 2012
- 115
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An evaluation of Mahalanobis Distance and grey relational analysis for crack pattern in concrete structuresLai, Wei-Cheng / Chang, Ta-Peng / Wang, Jin-Jun / Kan, Chia-Wei / Chen, Wei-Wen et al. | 2012
- 122
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Structural characterization of III–V zinc blende compound semiconductors using Monte Carlo simulationsRathi, Punit / Sikder, Sanjib / Adhikari, Jhumpa et al. | 2012
- 127
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Investigations on the structural, elastic and electronic properties of the orthorhombic Zirconium–Nickel alloy under different pressureYuan, Xiao-Li / Xue, Mi-An / Chen, Wen / An, Tian-Qing / Cheng, Yan et al. | 2012
- 133
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Molecular simulations of pristine and defective carbon nanotubes under monotonic and combined loadingChowdhury, Sanjib C. / Gillespie, John W. Jr. / Hartman, David R. et al. | 2012
- 144
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Modification of graphene as active hydrogen storage medium by strain engineeringSurya, V.J. / Iyakutti, K. / Mizuseki, H. / Kawazoe, Y. et al. | 2012
- 149
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An efficient global/multi-local stress analysis of complicated engineering composite structures using multi-goal MapReduceYou, Tao / Xu, Yingjie et al. | 2012
- 157
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Porous media generated by using an immiscible lattice-gas modelRamirez, Alejandro / Jaramillo, Daniel Esteban et al. | 2012
- 165
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Tunable band gap in half-fluorinated bilayer graphene under biaxial strainsHu, C.H. / Zhang, Y. / Liu, H.Y. / Wu, S.Q. / Yang, Y. / Zhu, Z.Z. et al. | 2012
- 170
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Theoretical calculations of thermodynamic properties of tetragonal ZrO2Jin, Lei / Ni, Liyong / Yu, Qinghe / Rauf, Abdul / Zhou, Chungen et al. | 2012
- 175
-
First principles study of band gap of Cu doped ZnO single-wall nanotube modulated by impurity concentration and concentration gradientSong, D.M. / Li, J.C. et al. | 2012
- 182
-
A ductile–brittle fracture model for material ductile damage in plastic deformation based on microvoid growthXue, Fengmei / Li, Fuguo / Chen, Bo / Fan, Juan / Wang, Ruiting et al. | 2012
- 193
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Structural and electronic properties of oxygen vacancy in lead-free KTa1− xNbxO3: Comparative first-principles calculationsShen, Yanqing / Zhou, Zhongxiang et al. | 2012
- 197
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FEM modeling of the flow curves and failure modes of dual phase steels with different martensite volume fractions using actual microstructure as the representative volumeMarvi-Mashhadi, M. / Mazinani, M. / Rezaee-Bazzaz, A. et al. | 2012
- 203
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The E–Z photo-isomerization switching behavior in single molecular device with carbon nanotube electrodesYou, Jun / He, Jun / Yin, Ming-Ming / Tang, Li-Ming / Chen, Ke-Qiu / Fan, Zhi-Qiang et al. | 2012
- 207
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Effect of precipitate–precipitate interaction on residual stress in welded structureFekirini, Hamida / Serier, Boualem / Bouafia, Farida / Bouiadjra, Bel Abbes Bachir / Hayat, Sardar Sikandar / Bouafia, Sid Ahmed et al. | 2012
- 216
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Molecular dynamics study on vibrational properties of graphene nanoribbon resonator under tensile loadingKang, Jeong Won / Hwang, Ho Jung / Kim, Ki-Sub et al. | 2012
- 221
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Investigation of deformation degree and initial forming temperature dependences of microstructure in hot ring rolling of TA15 titanium alloy by multi-scale simulationsZhu, S. / Yang, H. / Guo, L.G. / Gu, R.J. et al. | 2012
- 230
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The effect of deposition velocity and cluster size on thin film growth by Cu cluster depositionGong, Hengfeng / Lu, Wei / Wang, Lumin / Li, Gongping / Zhang, Shixun et al. | 2012
- 235
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Ab initio study of the interaction of H with substitutional solute atoms in α-Fe: Trends across the transition-metal seriesPsiachos, D. / Hammerschmidt, T. / Drautz, R. et al. | 2012
- 235
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Ab initio study of the interaction of H with substitutional solute atoms in a-Fe: Trends across the transition-metal seriesPsiachos, D. / Hammerschmidt, T. / Drautz, R. et al. | 2012
- 239
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Numerical simulation of three-point bending fatigue of four-step 3-D braided rectangular composite under different stress levels from unit-cell approachSun, Baozhong / Liu, Ruiqiang / Gu, Bohong et al. | 2012
- 247
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Structural, elastic and thermodynamic properties of anti-ReO3 type Cu3N under pressure from first principlesKong, Fanjie / Hu, Yanfei / Wang, Yanzong / Wang, Baolin / Tang, Lijuan et al. | 2012
- 254
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Three-dimensional simulation of microstructure evolution for three-phase nano-composite ceramic tool materialsHao, Song / Huang, Chuanzhen / Zou, Bin / Wang, Jun / Liu, Hanlian / Zhu, Hongtao et al. | 2012
- 264
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Sintering and deposition of nanoparticles on surface of metals: A molecular dynamics approachHussain, Fayyaz / Hayat, Sardar Sikandar / Imran, Muhammad / Ahmad, S.A. / Bouafia, Farida et al. | 2012
- 269
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Modeling and simulation of galvanic corrosion pit as a moving boundary problemThamida, Sunil Kumar et al. | 2012
- 276
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Multi-scale integrated modelling for high performance flexible materialsLin, H. / Ramgulam, R. / Arshad, H. / Clifford, M.J. / Potluri, P. / Long, A.C. et al. | 2012
- 287
-
Half-metallicity and strong exchange interactions of CuCrSe2 in chalcopyrite structure: A first-principles calculationYu, L.H. et al. | 2012
- 291
-
3D numerical simulation of successive deposition of uniform molten Al droplets on a moving substrate and experimental validationLi, Hejun / Wang, Pengyun / Qi, Lehua / Zuo, Hansong / Zhong, Songyi / Hou, Xianghui et al. | 2012
- 302
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A universal trend of structural, mechanical and electronic properties in transition metal (M=V, Nb, and Ta) borides: First-principle calculationsYao, Tiankai / Wang, Yachun / Li, Hui / Lian, Jie / Zhang, Jingwu / Gou, Huiyang et al. | 2012
- 309
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Elastic properties prediction of nano-clay reinforced polymers using hybrid micromechanical modelsBédoui, Fahmi / Cauvin, Ludovic et al. | 2012
- 315
-
Lattice dynamical calculations for HgTe, CdTe and their ternary alloy CdxHg1− xTeKushwaha, A.K. et al. | 2012
- 320
-
Model for healing of creep cavities in nickel-based superalloys under hot isostatic pressingZhou, Yu / Zhang, Zheng / Zhong, Qunpeng / Zhao, Zihua et al. | 2012
- 324
-
Molecular dynamics simulations of the interactions between SWNT and surfactantsPang, Jinyu / Xu, Guiying et al. | 2012
- 331
-
Structural, dynamical and thermodynamics properties of YBiAzzi, S. / Boublenza, H. / Zaoui, A. / Ferhat, M. et al. | 2012
- 335
-
A combined algorithm for characteristic edge match of hexahedral meshes based on priority nodes and relative position relationshipsZhao, Guoqun / Sun, Lu / Mu, Yue et al. | 2012
- 356
-
Thermal expansion/contraction of boron nitride nanotubes in axial, radial and circumferential directionsMashreghi, A. et al. | 2012
- 365
-
MAX phases Nb2AC (A=S, Sn): An ab initio studyNasir, M.T. / Islam, A.K.M.A. et al. | 2012
- 372
-
First-principles calculations of MnB4, TcB4, and ReB4 with the MnB4-type structureZhao, Wen-Jie / Xu, Bin et al. | 2012
- 377
-
First-principle studies of properties of ternary layered M2PbC (M=Ti, Zr and Hf)Qian, Xukun / Wang, Ning / Li, Yuxiang / Zhou, Yuan / Wu, Huaxia / Li, Yibin / He, Xiaodong et al. | 2012
- 383
-
A model for growth and engulfment of gas microporosity during aluminum alloy solidification processKaragadde, Shyamprasad / Sundarraj, Suresh / Dutta, Pradip et al. | 2012
- 395
-
Ab initio structure modeling of ZrO2 nanosheets and single-wall nanotubesBandura, Andrei V. / Evarestov, Robert A. et al. | 2012
- 406
-
A molecular dynamics investigation on thermal conductivity of graphynesZhang, Y.Y. / Pei, Q.X. / Wang, C.M. et al. | 2012
- 411
-
Vibrational properties of two and three junctioned carbon nanotubesFakhrabadi, Mir Masoud Seyyed / Amini, Ali / Rastgoo, Abbas et al. | 2012
- 426
-
First principles study of half-metallic ferromagnetism in (N, P, As and Sb) doped alkaline-earth sulfidesYogeswari, M. / Umamageshwari, R. / Kalpana, G. et al. | 2012
- 434
-
Ab initio study of Ti–C precipitates in hcp titanium: Formation energies, elastic moduli and theoretical diffraction patternsAksyonov, D.A. / Lipnitskii, A.G. / Kolobov, Yu.R. et al. | 2012
- 442
-
Monte Carlo simulation of grain growth in heat-affected zone of 12wt.% Cr ferritic stainless steel hybrid weldsZhang, Z.Z. / Wu, C.S. et al. | 2012
- 450
-
Pressure-induced structural transition of ZnO nanocrystals studied with molecular dynamicsDong, Xinwei / Liu, Feng / Xie, Yiqun / Shi, WangZhou / Ye, Xiang / Jiang, J.Z. et al. | 2012
- 456
-
Electronic structures and magnetism of Cr3Z (Z=Si, Ge, Sb) with DO3 structuresZhang, X.M. / Dai, X.F. / Jia, H.Y. / Chen, G.F. / Liu, H.Y. / Luo, H.Z. / Li, Y. / Yu, X. / Liu, G.D. / Wang, W.H. et al. | 2012
- 461
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Retardation of fatigue crack growth in aircraft aluminium alloys via laser heating – Numerical prediction of fatigue crack growthSchnubel, D. / Huber, N. et al. | 2012
- 470
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Damage of lead-free solder joints in flip chip assemblies subjected to high-temperature thermal cyclingAmalu, Emeka H. / Ekere, N.N. et al. | 2012
- 485
-
The electronic, mechanical and lattice dynamic properties of TiSiY from first-principles calculationsTao, Xiaoma / Chen, Chen / Li, Shenling / Ouyang, Yifang / Du, Yong et al. | 2012
- 490
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First-principles calculations of Zn substitutions in Cu6Sn5Yang, Yang / Li, Yongzhi / Lu, Hao / Yu, Chun / Chen, Junmei et al. | 2012
- 494
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Effect of the presence of tin on inhibition of CO adsorption on Ni4Sn bimetallic clustersFinetti, M. / Céliz, G. / Ottavianelli, E. / Jubert, A. / Pis Diez, R. et al. | 2012
- 504
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On the influence of van der Waals coefficient on the transverse vibration of double walled carbon nanotubesde Borbón, Fernanda / Ambrosini, Daniel et al. | 2012
- 509
-
Ab initio calculations of structural, optical and thermoelectric properties for CoSb3 and ACo4Sb12 (A=La, Tl and Y) compoundsRahnamaye Aliabad, H.A. / Ghazanfari, M. / Ahmad, Iftikhar / Saeed, M.A. et al. | 2012
- 520
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Ab initio investigations of structural, elastic and electronic properties of ZnSiP2: Pressure effectArab, F. / Ali Sahraoui, F. / Haddadi, K. / Louail, L. et al. | 2012
- 528
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Re-visiting the ‘rule of mixture’ used in materials with multiple constituting phases: A technical note on morphological considerations in austenite case studyPrawoto, Y. / Djuansjah, J.R.P. / Shaffiar, N.B. et al. | 2012
- 536
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Thermodynamical and phonon properties of rare-earth REBi (RE=Ce and La) bismuthidiesMankad, Venu H. / Gupta, Sanjeev K. / Lukacevic, I. / Jha, Prafulla K. et al. | 2012
- 542
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Numerical modelling of thermomechanical solids with mechanically energetic (generalised) Kapitza interfacesJavili, A. / McBride, A. / Steinmann, P. et al. | 2012
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IFC| 2012