| Elastic constants and anisotropy of RuB(2) under pressure |
| F. Luo; M. Fu; G. F. Ji; X. R. Chen
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| 2010
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| 发表期刊 | Chinese Physics B
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| ISSN | 1674-1056
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| 卷号 | 19期号:2 |
| 摘要 | The structural, elastic constants and anisotropy of RuB(2) under pressure are investigated by first-principles calculations based on the plane wave pseudopotential density functional theory method within the local density approximation (LDA) as well as the generalized gradient approximation (GGA) for exchange and correlation. The results accord well with the available experimental and other theoretical data. The elastic constants, elastic anisotropy, and Debye temperature circle minus as a function of pressure are presented. It is concluded that RuB(2) is brittle in nature at low pressure, whereas it becomes ductile at higher pressures. An analysis for the calculated elastic constant has been made to reveal the mechanical stability of RuB(2) up to 100 GPa. |
| 部门归属 | [luo fen; fu min; chen xiang-rong] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [ji guang-fu] china acad engn phys, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chen, xr (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;x.r.chen@tom.com
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| 关键词 | Elastic Properties
Density Functional Theory
Rub(2)
1st-principles Calculations
Electronic-structure
Ab-initio
Superconductivity
Crystals
Osb2
Temperature
Diborides
Dynamics
Borides
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| URL | 查看原文
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/31351
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| 专题 | 中国科学院金属研究所
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推荐引用方式
GB/T 7714 |
F. Luo,M. Fu,G. F. Ji,et al. Elastic constants and anisotropy of RuB(2) under pressure[J]. Chinese Physics B,2010,19(2).
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| APA |
F. Luo,M. Fu,G. F. Ji,&X. R. Chen.(2010).Elastic constants and anisotropy of RuB(2) under pressure.Chinese Physics B,19(2).
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| MLA |
F. Luo,et al."Elastic constants and anisotropy of RuB(2) under pressure".Chinese Physics B 19.2(2010).
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