Fe3BO5 和 Mn3BO5 褐铁矿的磁结构和磁性能

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter Pub Date : 2024-11-19 DOI:10.1016/j.physb.2024.416754

Natalia Zamkova , Vyacheslav Zhandun

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引用次数: 0

摘要

通过结合表征分析和随后对可能的磁性构型进行的 DFT 总能量计算，研究了过渡金属路德维希石 Fe3BO5 和 Mn3BO5 的磁基态。通过估算交换常数，分析了路德维希特的不同磁性。Mn3BO5 中锰磁矩的压力演变揭示了磁矩的位点依赖行为。当压力超过 50 GPa 时，4-2-4 三元组中的锰磁矩会急剧下降，而 3-1-3 三元组中的磁矩对压力的依赖性较弱。在 Mn3BO5 中也发现了由压力引起的从半金属态到金属态的转变。

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Magnetic structure and magnetic properties of Fe3BO5 and Mn3BO5 ludwigites

The magnetic ground state of transition metal ludwigites Fe₃BO₅ and Mn₃BO₅ was studied via the combination of representations analysis and the following DFT total energy calculations of possible magnetic configurations. The distinct in the magnetic properties of ludwigites was analyzed through estimation of exchange constants. The pressure evolution of manganese magnetic moments in Mn₃BO₅ reveals the site-dependent behavior of magnetic moments. The manganese magnetic moments in 4-2-4 triads experience the sharp decrease above the pressure of 50 GPa, whereas magnetic moments in 3-1-3 triads have the weak dependence on pressure. The pressure-induced transition from half-metal state to metal state is also being found in Mn₃BO₅.

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来源期刊

Physica B-condensed Matter 物理-物理：凝聚态物理

CiteScore

4.90

自引率

7.10%

发文量

703

审稿时长

44 days

期刊介绍： Physica B: Condensed Matter comprises all condensed matter and material physics that involve theoretical, computational and experimental work. Papers should contain further developments and a proper discussion on the physics of experimental or theoretical results in one of the following areas: -Magnetism -Materials physics -Nanostructures and nanomaterials -Optics and optical materials -Quantum materials -Semiconductors -Strongly correlated systems -Superconductivity -Surfaces and interfaces