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Ab initio mechanical and thermal properties of FeMnP1-xGax compounds as refrigerant for room-temperature magnetic refrigeration
Ma, Shuang1; Wurentuya, B.1,2; Wu, Xiaoxia3; Jiang, Yongjing1; Tegus, O.1; Guan, Pengfei4; Narsu, B.1
Corresponding AuthorNarsu, B.(nars@imnu.edu.cn)
2017
Source PublicationRSC ADVANCES
ISSN2046-2069
Volume7Issue:44Pages:27454-27463
AbstractDensity 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.
Funding OrganizationNational Natural Science Foundation of China ; Inner Mongolia Natural Science Foundation
DOI10.1039/c7ra04274d
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation of China[11464037] ; National Natural Science Foundation of China[50901039] ; Inner Mongolia Natural Science Foundation[2016MS0113] ; [NJYT-12-B07]
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000402166600033
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/124365
Collection中国科学院金属研究所
Corresponding AuthorNarsu, B.
Affiliation1.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
Recommended Citation
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.
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