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期刊论文 [298]
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Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications
期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2025, 卷号: 190, 页码: 11
作者:
Rahman, Attaur
;
Abid, Aqsa
;
Haneef, Muhammad
;
Amin, Bin
;
Elmasry, Yasser
收藏
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浏览/下载:2/0
  |  
提交时间:2025/04/27
Double perovskite halide oxides
Optoelectronic
Photocatalytic applications
Density functional theory
Mechanical properties
Direct band gap
Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 53, 页码: 61-65
作者:
Cai, T.
;
Li, K. Q.
;
Zhang, Z. J.
;
Zhang, P.
;
Liu, R.
;
Yang, J. B.
;
Zhang, Z. F.
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浏览/下载:149/0
  |  
提交时间:2021/02/02
Cu-alloy
Deformation behavior
First-principles calculation
Stacking fault energy
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:
Zhang, LJ
;
Chen, ZY
;
Hu, QM
;
Yang, R
;
Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:160/0
  |  
提交时间:2018/06/05
Grain-boundary Segregation
Austenitic Stainless-steel
Total-energy Calculations
Augmented-wave Method
Elastic Band Method
Alloying Elements
Self-diffusion
Impurity Diffusion
1st Principles
Saddle-points
Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 4, 页码: 700-707
作者:
Zhou, G
;
Ye, LH
;
Wang, H
;
Xu, DS
;
Meng, CG
;
Yang, R
;
Wang, H (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
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  |  
浏览/下载:1989/0
  |  
提交时间:2018/06/05
Augmented-wave Method
Am30 Magnesium Alloy
Deformation
Mg
Microstructure
Compression
Evolution
Behavior
Az31b
Slip
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal
期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:
Xue, YB
;
Wang, WY
;
Guo, Y
;
Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
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浏览/下载:206/0
  |  
提交时间:2018/06/05
Total-energy Calculations
Augmented-wave Method
Doped Basno3
Ab-initio
Barium Stannate
1st Principles
Thin-films
Basis-set
Perovskite
Ceramics
Coexistent three-component and two-component Weyl phonons in TiS, ZrSe, and HfTe
期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 5, 页码: -
作者:
Li, JX
;
Xie, Q
;
Ullah, S
;
Li, RH
;
Ma, H
;
Li, DZ
;
Li, YY
;
Chen, XQ
;
Chen, XQ (reprint author), Chinese Acad Sci, Univ Sci & Technol China, Sch Mat Sci & Engn, Inst Met Res,Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
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  |  
浏览/下载:131/0
  |  
提交时间:2018/06/05
Topological Dirac Semimetal
Initio Molecular-dynamics
Augmented-wave Method
Fermi Arcs
Wannier Functions
Electron-gas
Line-nodes
Wc Type
System
Surface
Colossal X-Ray-Induced Persistent Photoconductivity in Current-Perpendicular-to-Plane Ferroelectric/Semiconductor Junctions
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2018, 卷号: 28, 期号: 6, 页码: -
作者:
Hu, WJ
;
Paudel, TR
;
Lopatin, S
;
Wang, ZH
;
Ma, H
;
Wu, KW
;
Bera, A
;
Yuan, GL
;
Gruverman, A
;
Tsymbal, EY
;
Wu, T
;
Wu, T (reprint author), King Abdullah Univ Sci & Technol, Mat Sci & Engn, Thuwal 239556900, Saudi Arabia.
;
Tsymbal, EY (reprint author), Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA.
;
Tsymbal, EY (reprint author), Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA.
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  |  
浏览/下载:190/0
  |  
提交时间:2018/06/05
Ferroelectric Tunnel-junctions
Charge-ordered Manganites
Augmented-wave Method
Bifeo3 Thin-films
Oxygen Vacancy
Relaxation
Electroresistance
Semiconductors
Zn0.3cd0.7se
Percolation
Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide
期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 页码: -
作者:
He, JG
;
Di Sante, D
;
Li, RH
;
Chen, XQ
;
Rondinelli, JM
;
Franchini, C
;
Rondinelli, JM (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
;
Franchini, C (reprint author), Univ Vienna, Fac Phys, A-1080 Vienna, Austria.
;
Franchini, C (reprint author), Univ Vienna, Ctr Computat Mat Sci, A-1080 Vienna, Austria.
;
Chen, XQ (reprint author), Univ Sci & Technol China, Chinese Acad Sci, Inst Met Res, Sch Mat Sci & Engn,Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
收藏
  |  
浏览/下载:142/0
  |  
提交时间:2018/06/05
Augmented-wave Method
Wannier Functions
States
Bulk
Semiconductors
Perovskites
Temperature
Ag2bio3
Plane
Bands
Mapping deformation mechanisms in lamellar titanium aluminide
期刊论文
ACTA MATERIALIA, 2018, 卷号: 144, 页码: 835-843
作者:
Ji, ZW
;
Lu, S
;
Hu, QM
;
Kim, D
;
Yang, R
;
Vitos, L
;
Hu, QM (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
;
Lu, S (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
收藏
  |  
浏览/下载:204/0
  |  
提交时间:2018/06/05
Polysynthetically Twinned Crystals
Ordered Intermetallic Alloys
Total-energy Calculations
Stacking-fault Energies
Augmented-wave Method
Single-crystals
Temperature-dependence
Plastic-deformation
Yield-stress
Tial Alloys
Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 2, 页码: 355-364
作者:
Chen, WL
;
Ding, XY
;
Feng, YC
;
Liu, XJ
;
Liu, K
;
Lu, ZP
;
Li, DZ
;
Li, YY
;
Liu, CT
;
Chen, XQ
;
Chen, XQ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏
  |  
浏览/下载:178/0
  |  
提交时间:2018/06/05
Total-energy Calculations
Solid-solution Alloys
Augmented-wave Method
Mechanical-properties
Single-phase
Multiprincipal Elements
Compressive Properties
Multicomponent Alloys
Wear-resistance
Basis-set