Mn2PtSn 中自旋螺旋磁结构的稳定性

IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
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引用次数: 0

摘要

本文借助密度泛函理论计算,研究了反四方海斯勒化合物 Mn2PtSn 中长周期均匀自旋螺旋构型的稳定性。该体系中能量最稳定的共线磁态是铁磁态。然而,负声子频率的存在使得这种构型在动力学上不稳定。能量弥散图显示,沿[100]和[110]传播方向 q=0.1 时存在能量最小值,与共线自旋态相比,它对应于稳定的非共线构型。加入自旋轨道耦合会进一步降低基态能量,但不会改变能量最小值的 q 向量。在摆线螺旋构型中,自旋沿传播方向旋转 36° 角,比螺旋构型更稳定。计算出的状态密度图进一步证明了非共线摆线自旋顺序的稳定性。Mn2PtSn 这种稳定的非共线自旋螺旋构型使这种化合物成为自旋电子学器件应用的一种有前景的材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Stability of spin-spiral magnetic structures in Mn2PtSn
The stability of a long-periodic homogeneous spin-spiral configuration in an inverse tetragonal Heusler compound, Mn2PtSn, is studied with the help of density functional theory calculations. The energetically most stable collinear magnetic state in this system is the ferrimagnetic one. However, the existence of negative phonon frequency makes this configuration dynamically unstable. The energy dispersion plots reveal that an energy minimum exists at q=0.1 along [100] and [110] propagating directions, which correspond to a stable non-collinear configuration compared to the collinear spin states. The inclusion of spin–orbit coupling further reduces the ground-state energy without changing the q-vector of the energy minima. The cycloidal spiral configuration, where the spins rotate at an angle of 36° along the propagating direction, is found to be more stable than the screw spiral configuration. The calculated density of state plots further supports the stability of the non-collinear cycloidal spin order. This stable, non-collinear spin-spiral configuration of Mn2PtSn makes this compound a prospective material for spintronics device applications.
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来源期刊
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids 工程技术-化学综合
CiteScore
7.80
自引率
2.50%
发文量
605
审稿时长
40 days
期刊介绍: The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.
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