Ab initio mechanical and thermal properties of FeMnP1-xGax compounds as refrigerant for room-temperature magnetic refrigeration
文献类型：期刊论文
| 作者 | Ma, Shuang1; Wurentuya, B.1,2; Wu, Xiaoxia3; Jiang, Yongjing1; Tegus, O.1; Guan, Pengfei4; Narsu, B.1 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2017 |
| 卷号 | 7期号:44页码:27454-27463 |
| ISSN号 | 2046-2069 |
| DOI | 10.1039/c7ra04274d |
| 通讯作者 | Narsu, B.(nars@imnu.edu.cn) |
| 英文摘要 | Density functional theory was used to identify possible Fe2P-type giant magnetocaloric FeMnP1-xGax compounds. The calculated formation energies, elastic constants and phonon spectra confirm the energetic, mechanical and dynamical stability of hexagonal FeMnP1-xGax compounds in both the ferromagnetic and paramagnetic states. The predicted magnetic moment, elastic properties, and Curie temperature of FeMnP0.67Ga0.33 are close to those obtained for FeMnP0.67Ge0.33 compounds using the same calculation scheme. The entropy changes and latent heat of FeMnP0.67Ga0.33 are similar with those of FeMnP0.67Ge0.33. The electronic density of states and charge density analysis indicate that the FeMnP1-xGax compounds have similar electronic structures to those of FeMnP1-xGex. These results predict that FeMnP1-xGax is a possible candidate refrigerant for room-temperature magnetic refrigeration. |
| 资助项目 | National Natural Science Foundation of China[11464037] ; National Natural Science Foundation of China[50901039] ; Inner Mongolia Natural Science Foundation[2016MS0113] ; [NJYT-12-B07] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000402166600033 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | National Natural Science Foundation of China ; Inner Mongolia Natural Science Foundation |
| 源URL | [http://ir.imr.ac.cn/handle/321006/124364]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Narsu, B. |
| 作者单位 | 1.Inner Mongolia Normal Univ, Inner Mongolia Key Lab Phys & Chem Funct Mat, Coll Phys & Elect Informat, Hohhot 010022, Peoples R China 2.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Inner Mongolia Univ Sci & Technol, Dept Phys, Baotou 014022, Peoples R China 4.Beijing Computat Sci Res Ctr, Beijing 100193, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ma, Shuang,Wurentuya, B.,Wu, Xiaoxia,et al. Ab initio mechanical and thermal properties of FeMnP1-xGax compounds as refrigerant for room-temperature magnetic refrigeration[J]. RSC ADVANCES,2017,7(44):27454-27463. |
| APA | Ma, Shuang.,Wurentuya, B..,Wu, Xiaoxia.,Jiang, Yongjing.,Tegus, O..,...&Narsu, B..(2017).Ab initio mechanical and thermal properties of FeMnP1-xGax compounds as refrigerant for room-temperature magnetic refrigeration.RSC ADVANCES,7(44),27454-27463. |
| MLA | Ma, Shuang,et al."Ab initio mechanical and thermal properties of FeMnP1-xGax compounds as refrigerant for room-temperature magnetic refrigeration".RSC ADVANCES 7.44(2017):27454-27463. |
入库方式： OAI收割
来源：金属研究所
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