Phase stability of ZnO from first-principles calculations

Wrobel J; Piechota J

首页> 外文期刊>Journal of Physics. Condensed Matter >Phase stability of ZnO from first-principles calculations

【24h】

Phase stability of ZnO from first-principles calculations

机译：从第一性原理计算得出ZnO的相稳定性

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

First-principles calculations of the phonon dispersion relations and the phonon density of states for ZnO polymorphs: wurtzite, zinc-blende, rocksalt structures, and as yet the experimentally undiscovered CsCl structure, are presented. All the phases were exposed to pressures ranging from 0 to 20 GPa. The pressure-temperature phase diagram of ZnO was constructed and compared to experimental data, where available.

机译：给出了ZnO多晶型：纤锌矿，闪锌矿，岩盐结构以及迄今未发现的实验性CsCl结构的声子色散关系和声子态密度的第一性原理计算。所有相都暴露于0至20GPa的压力下。绘制了ZnO的压力-温度相图，并与实验数据进行了比较（如果有）。

著录项

来源
《Journal of Physics. Condensed Matter》 |2008年第6期|共1页
作者
Wrobel J; Piechota J;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Phase stability of ZnO from first-principles calculations [J] . Wrobel J, Piechota J Journal of Physics. Condensed Matter . 2008,第6期

机译：从第一性原理计算得出ZnO的相稳定性
2. First-principles calculations of the phase stability and the elastic and mechanical properties of eta-phases in the WC-Co system [J] . Kim Jiwoong, Suh Yong Jae, Kang Ilmo Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2016,第Null期

机译：WC-Co系统中相稳定性以及eta相的弹性和力学性能的第一性原理计算
3. First-principles calculations of the phase stability and the elastic and mechanical properties of eta-phases in the WC-Co system [J] . Kim Jiwoong, Suh Yong Jae, Kang Ilmo Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2016,第Null期

机译：WC-Co系统中相稳定性以及eta相的弹性和力学性能的第一性原理计算
4. Structural stability and elastic constants of precipitate phases of Mg-5AI alloy with combined Ca and Sr addition from first-principles calculations [C] . Luo Suqin, Tang Aitao, Du WeiWei, International Conference on Environment, Materials, Chemistry and Power Electronics . 2016

机译：Mg-5％AI合金的沉淀阶段的结构稳定性和弹性常数与组合CA和SR加入第一原理计算
5. Phase stability and electronic structures of perovskite and organic optoelectronic materials via first-principle calculations. [D] . Luo, Heng. 2015

机译：通过第一性原理计算得出钙钛矿和有机光电子材料的相稳定性和电子结构。
6. Effects of Doped Elements (Si Cr W and Nb) on the Stability Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation [O] . Yongxin Jian, Zhifu Huang, Yu Wang, 2020

机译：掺杂元素（SiCrW和Nb）对第一原理计算的MoALB相位稳定性力学性能和电子结构的影响
7. Effects of Doped Elements (Si, Cr, W and Nb) on the Stability, Mechanical Properties and Electronic Structures of MoAlB Phase by the First-Principles Calculation [O] . Yongxin Jian, Zhifu Huang, Yu Wang, 2020

机译：掺杂元素（Si，Cr，W和Nb）对第一原理计算的MoALB相位稳定性，力学性能和电子结构的影响

Phase stability of ZnO from first-principles calculations

摘要

著录项

相似文献

相关主题

期刊订阅