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具有立方非中心对称B20结构的新型高熵化合物RhMnFeCoGe₄

The New High-entropy Compound RhMnFeCoGe4 with Cubic Non-centrosymmetric B20 Structure

V. A. Sidorov, V. N. Krasnorussky, A. V. Bokov, Z. N. Volkova, A. P. Gerashchenko, N. M. Chtchelkatchev, M. V. Magnitskaya, D. A. Salamatin, A. V. Semeno, V. V. Brazhkin, A. V. Tsvyashchenko

arXiv 2608.03523首次发表:更新:

AI 中文总结

研究合成了具有B20结构的新型高熵化合物RhMnFeCoGe₄,探究其磁电性能,确定临界参数等,发现晶格压缩可提升其铁磁临界温度。

AI 中文摘要

在高温高压条件下合成了一种新型高熵化合物RhMnFeCoGe₄,该化合物具有立方非中心对称B20结构。研究人员对所得化合物在常压和高压下的电输运及磁性能进行了探究,还在4.2K下获取了核磁共振(NMR)谱并开展了从头算计算。该新材料表现出铁磁行为,临界温度T_C=146K,每个化学式单位的自发磁矩为2.5μ_B。从临界区域的磁化数据中得到临界温度和临界指数,分别为T_C=146(1)K、β=0.337(1)、γ=1.121(1)、δ=4.326(1)。通过NMR谱确定Mn和Co的磁矩分别为2.2μ_B和0.5μ_B。从头算计算给出了合理的晶格参数及所有组分的磁矩值,还确定了顺磁态和铁磁态的态密度与能带结构。晶格压缩会使T_C升高。

英文摘要

A novel high-entropy compound, RhMnFeCoGe$_4$, with a cubic non-centrosymmetric B20 struc- ture, has been synthesized under conditions of high pressure and temperature. The electrical transport and magnetic properties of the obtained compound at both ambient and elevated pres- sures have been investigated. In addition, nuclear magnetic resonance (NMR) spectra were obtained at 4.2 K and ab initio calculations were performed. The new material exhibits ferromag- netic behavior with a critical temperature of $T_C$ = 146 K and a spontaneous moment of 2.5 $μ_B$ per formula unit. The magnetization data obtained at the critical region yielded the critical temperature and exponents, which were found to be $T_C$ = 146(1) K, $β$ = 0.337(1), $γ$ = 1.121(1), and $δ$ = 4.326(1). The magnetic moments of Mn and Co were determined from NMR spectra to be 2.2 $μ_B$ and 0.5 $μ_B$, respectively. Ab initio calculations yielded reasonable values for the lattice parameter and the magnetic moments of all constituents. The density of states and band structure are determined for both paramagnetic and ferromagnetic states. Lattice compression results in the increase in the $T_C$.

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