机构

• 金属研究所 [14]
• 长春应用化学研究所 [5]
• 半导体研究所 [3]
• 宁波材料技术与工程研... [2]
• 上海应用物理研究所 [1]
• 中国科学院大学 [1]
• 更多

采集方式

• OAI收割 [24]
• iSwitch采集 [2]

内容类型

• 期刊论文 [26]

发表日期

• 2020 [1]
• 2019 [1]
• 2014 [2]
• 2013 [1]
• 2012 [2]
• 2011 [1]
• 更多

学科主题

• 半导体物理 [2]
• Materials ... [1]
• Physics [1]

筛选

浏览/检索结果: 共26条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Very large Dzyaloshinskii-Moriya interaction in two-dimensional Janus manganese dichalcogenides and its application to realize skyrmion states 期刊论文  OAI收割 PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 18 作者:  Liang, Jinghua;  Wang, Weiwei;  Du, Haifeng;  Hall, Ali;  Garcia, Karin   |  收藏  |  浏览/下载：93/0  |  提交时间：2020/12/16 INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  ELECTRONIC-STRUCTURE  FERROMAGNETISM  TRANSITION  SURFACES  CRYSTAL  LATTICE   Development and application of phase diagrams for Li-ion batteries using CALPHAD approach 期刊论文  OAI收割 PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL, 2019, 卷号: 29, 期号: 3, 页码: 265-276 作者:  Li, Na;  Li, Dajian;  Zhang, Weibin;  Chang, Keke;  Dang, Feng   |  收藏  |  浏览/下载：43/0  |  提交时间：2019/12/18 THERMODYNAMIC DESCRIPTION  LITHIUM DEINTERCALATION  ELECTRONIC-PROPERTIES  METAL TRANSITION  SOLID-SOLUTIONS  ENERGY-STORAGE  SPINEL  LICOO2  SILICON  OXIDES   Surface energy and work function of fcc and bcc crystals: Density functional study 期刊论文  OAI收割 Surface Science, 2014, 卷号: 630, 页码: 216-224 J. Wang; S. Q. Wang 收藏  |  浏览/下载：20/0  |  提交时间：2015/01/14 Surface energy  Work function  First principle  Density functional  calculations  photoelectron-spectroscopy  electronic-structure  transition-metals  corrosion  model  gold   Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 33, 页码: 18938—18944 Chen, S; Liu, JJ; Wang, LH; Luo, HJ; Gao, YF 收藏  |  浏览/下载：21/0  |  提交时间：2015/03/13 METAL-INSULATOR-TRANSITION  TOTAL-ENERGY CALCULATIONS  DIOXIDE THIN-FILMS  WAVE BASIS-SET  VANADIUM DIOXIDE  PHASE-TRANSITION  VISIBLE TRANSMITTANCE  ELECTRONIC-PROPERTIES  OPTICAL-PROPERTIES  MICROSTRUCTURE   Evolution of the structure and electronic properties of neutral and anion FeSn mu (n=1-7, mu=0,-1) clusters: A comprehensive analysis 期刊论文  OAI收割 Journal of Alloys and Compounds, 2013, 卷号: 573, 页码: 133-141 L. P. Ding; X. Y. Kuang; P. Shao; M. M. Zhong 收藏  |  浏览/下载：19/0  |  提交时间：2013/12/24 Density functional theory  Photoelectron spectroscopy  Fe-S clusters  Structural and electronic properties  density-functional theory  iron-sulfur clusters  photoelectron-spectroscopy  angstrom resolution  correlation-energy  transition-metals  crystal-structure  dft calculations  ferredoxin-i  spectra   First-principles studies of structural stabilities and enthalpies of formation of refractory intermetallics: TM and TM3 (T = Ti, Zr, Hf; M = Ru, Rh, Pd, Os, Ir, Pt) 期刊论文  OAI收割 Intermetallics, 2012, 卷号: 28, 页码: 16-24 W. W. Xing; X. Q. Chen; D. Z. Li; Y. Y. Li; C. L. Fu; S. V. Meschel; X. Y. Ding 收藏  |  浏览/下载：100/0  |  提交时间：2013/02/05 Intermetallics  Thermodynamic and thermochemical properties  Ab initio  calculations  direct synthesis calorimetry  temperature mixing calorimetry  total-energy calculations  augmented-wave method  standard enthalpies  phase-transformations  electronic-properties  transition-metals  ordered  alloys  binary-alloys   First principles investigations on elastic and electronic properties of BaHfN2 under pressure 期刊论文  OAI收割 Journal of Alloys and Compounds, 2012, 卷号: 526, 页码: 74-78 P. Wang; Y. Cheng; X. H. Zhu; X. R. Chen; G. F. Ji 收藏  |  浏览/下载：49/0  |  提交时间：2013/02/05 Density functional theory  Elastic properties  Electronic structures  High pressure  BaHfN2  transition-metal nitrides  ternary nitrides  growing class  thin-films  chemistry  constants  temperature  accurate  energy  state   Surface properties of 3d transition metals 期刊论文  OAI收割 Philosophical Magazine, 2011, 卷号: 91, 期号: 27, 页码: 3627-3640 M. P. J. Punkkinen; Q. M. Hu; S. K. Kwon; B. Johansson; J. Kollar; L. Vitos 收藏  |  浏览/下载：18/0  |  提交时间：2012/04/13 surface relaxation  surface energy  surface stress  magnetic transition  metals  density functional theory  full charge-density  initio molecular-dynamics  total-energy  calculations  augmented-wave method  ab-initio  electronic-structure  atomic volume  work function  basis-set  relaxation   Accurate determination of electronic transition energy of carbon nanotubes from the resonant behavior of radial breathing modes and their overtones 期刊论文  iSwitch采集 Acta physica sinica, 2010, 卷号: 59, 期号: 11, 页码: 7966-7973 作者:  Zhang Jun;  Tan Ping-Heng;  Zhao Wei-Jie 收藏  |  浏览/下载：29/0  |  提交时间：2019/05/12 Single walled carbon nanotubes  Radial breathing modes  Resonant raman scattering  Electronic transition energy   First-Principles Study of High-Pressure Behavior of Solid beta-HMX 期刊论文  OAI收割 Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 2, 页码: 1082-1092 H. L. Cui; G. F. Ji; X. R. Chen; W. H. Zhu; F. Zhao; Y. Wen; D. Q. Wei 收藏  |  浏览/下载：16/0  |  提交时间：2012/04/13 equation-of-state  octahydro-1  total-energy calculations  3  electronic-structure  5  molecular-dynamics  7-tetranitro-1  ab-initio  3  5  7-tetrazocine hmx  hydrostatic  compression  crystal structure  phase-transition  delta-phase