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Influence of Cobalt Substitution on the Magnetic Properties of Fe5PB2
Inorganic Chemistry ( IF 4.6 ) Pub Date : 2018-01-03 00:00:00 , DOI: 10.1021/acs.inorgchem.7b02663
Johan Cedervall 1 , Elise Nonnet 1 , Daniel Hedlund 2 , Lennart Häggström 3 , Tore Ericsson 3 , Mirosław Werwiński 4 , Alexander Edström 3, 5 , Ján Rusz 3 , Peter Svedlindh 2 , Klas Gunnarsson 2 , Martin Sahlberg 1
Affiliation  

The substitutional effects of cobalt in (Fe1–xCox)5PB2 have been studied with respect to crystalline structure and chemical order with X-ray diffraction and Mössbauer spectroscopy. The magnetic properties have been determined from magnetic measurements, and density functional theory calculations have been performed for the magnetic properties of both the end compounds, as well as the chemically disordered intermediate compounds. The crystal structure of (Fe1–xCox)5PB2 is tetragonal (space group I4/mcm) with two different metal sites, with a preference for cobalt atoms in the M(2) position (4c) at higher cobalt contents. The substitution also affects the magnetic properties with a decrease of the Curie temperature (TC) with increasing cobalt content, from 622 to 152 K for Fe5PB2 and (Fe0.3Co0.7)5PB2, respectively. Thus, the Curie temperature is dependent on composition, and it is possible to tune TC to a temperature near room temperature, which is one prerequisite for magnetic cooling materials.

中文翻译:

钴取代对Fe 5 PB 2磁性的影响

利用X射线衍射和Mössbauer光谱研究了(Fe 1– x Co x5 PB 2中钴在晶体结构和化学有序性方面的替代作用。已经从磁性测量结果中确定了磁性,并且对末端化合物以及化学无序的中间化合物的磁性进行了密度泛函理论计算。(Fe 1– x Co x5 PB 2的晶体结构是四方的(空间群I 4 / mcm)具有两个不同的金属位点,并且优先选择钴含量较高的M(2)位置(4c)中的钴原子。随着钴含量的增加,取代也影响了居里温度(T C)的降低,磁性从Fe 5 PB 2和(Fe 0.3 Co 0.75 PB 2分别降低到622 K和152K 。因此,居里温度取决于组成,并且有可能将T C调节到接近室温的温度,这是磁性冷却材料的先决条件。
更新日期:2018-01-03
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