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首页> 外文期刊>Advanced Functional Materials >Intrinsic Half-Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction
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Intrinsic Half-Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

机译：临界温度高且磁化方向可控的二维三元硫族化物的本征半金属

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摘要

Searching for 2D ferromagnetic materials with a high critical temperature, large spin polarization, and controllable magnetization direction is a key challenge for their broad applications in spintronics. Here, through a systematic study on a series of 2D ternary chalcogenides with first-principles calculations, it is demonstrated that a family of experimentally available 2D CoGa2X4 (X = S, Se, or Te) are half-metallic ferromagnets, and they exhibit high critical temperature, fully polarized spin state, and strain-dependent magnetization direction simultaneously. Following the Goodenough-Kanamori rules, the half-metallic ferromagnetism of CoGa2X4 family is caused by superexchange interaction mediated by Co-X-Co bonds. The half-metal gaps are large enough (0.5 eV) to ensure that the half-metallicity is stable against the spin flipping at room temperature. Magnetocrystalline anisotropy energy calculations indicate that CoGa2X4 favor easy plane magnetization. Under achievable biaxial tensile strain (2-6%), the magnetization directions of CoGa2X4 can change from in-plane to out-of-plane, providing a route to control the efficiency of spin injection/detection. Further, the critical temperatures T-c of ferromagnetic phase transition for CoGa2X4 are close to room temperature. Belonging to the big family of layered AB(2)X(4) compounds, the proposed CoGa2X4 systems will enrich the available 2D candidates and their heterojunctions for various applications.
机译：寻找具有高临界温度，大自旋极化和可控制磁化方向的2D铁磁材料是其在自旋电子学中的广泛应用的关键挑战。在这里，通过对具有第一性原理的一系列二维三元硫族化物的系统研究，证明了一组实验上可用的二维CoGa2X4（X = S，Se或Te）是半金属铁磁体，并且它们表现出很高的临界温度，完全极化的自旋态和应变相关的磁化方向同时出现。遵循Goodenough-Kanamori规则，CoGa2X4家族的半金属铁磁性是由Co-X-Co键介导的超交换相互作用引起的。半金属间隙足够大（> 0.5 eV），以确保半金属在室温下对自旋翻转稳定。磁晶各向异性能的计算表明，CoGa2X4易于平面磁化。在可实现的双轴拉伸应变（2-6％）下，CoGa2X4的磁化方向可以从平面内变化到平面外，从而提供了一种控制自旋注入/检测效率的途径。此外，CoGa 2 X 4的铁磁相变的临界温度T-c接近室温。属于分层AB（2）X（4）化合物的大家族，拟议的CoGa2X4系统将丰富可用的2D候选物及其异质结，以用于各种应用。

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  • 来源
    《Advanced Functional Materials》 |2019年第14期|1808380.1-1808380.9|共9页
  • 作者

    Zhang Shuqing; Xu Runzhang; Duan Wenhui; Zou Xiaolong;

  • 作者单位

    Tsinghua Univ, TBSI, Shenzhen Geim Graphene Ctr, Shenzhen 518055, Peoples R China|Tsinghua Univ, TBSI, Low Dimens Mat & Devices Lab, Shenzhen 518055, Peoples R China;

    Tsinghua Univ, TBSI, Shenzhen Geim Graphene Ctr, Shenzhen 518055, Peoples R China|Tsinghua Univ, TBSI, Low Dimens Mat & Devices Lab, Shenzhen 518055, Peoples R China;

    Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China|Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China;

    Tsinghua Univ, TBSI, Shenzhen Geim Graphene Ctr, Shenzhen 518055, Peoples R China|Tsinghua Univ, TBSI, Low Dimens Mat & Devices Lab, Shenzhen 518055, Peoples R China;

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  • 正文语种 eng
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  • 关键词

    2D materials; first-principles calculations; half-metallicity; spintronics; ternary chalcogenides;

    机译：二维材料;第一性原理计算;半金属性;自旋电子学;三族硫族化物;

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