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arXiv 2404.03416cond-mat.mtrl-scicond-mat.mes-hall
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L1$_0$ FeNi (001)、(010)和(111)超薄膜的磁各向异性:第一性原理研究

Magnetic anisotropy of L1$_0$ FeNi (001), (010), and (111) ultrathin films: A first-principles study

Joanna Marciniak, Mirosław Werwiński

AI总结:

本文利用密度泛函理论计算研究不同表面和厚度的L1$_0$ FeNi超薄膜,揭示其垂直或面内磁各向异性、磁化方向及磁矩变化规律。

摘要:

在以往的实验中,人们制备并研究了具有不同表面(包括(001)、(110)和(111))的L1$_0$ FeNi薄膜。每个表面都决定了晶体学四方轴相对于薄膜平面的不同取向,从而产生不同的磁各向异性。在本研究中,我们采用密度泛函理论计算考察了三个系列的L1$_0$ FeNi薄膜,其表面分别为(001)、(010)和(111),厚度范围为0.5至3 nm(即4至16个原子单层)。结果表明,(001)薄膜具有垂直磁各向异性,而(010)薄膜倾向于面内磁化,并明显偏好四方轴[001]。我们建议将这种面内各向异性称为固定面内各向异性。厚度为4个原子单层的(111)表面薄膜的磁化易轴几乎垂直于薄膜平面。随着(111)薄膜厚度增加,磁化方向转向四方轴[001],该轴与薄膜平面约成45°角。此外,超薄膜的磁矩最大增加5%,自旋磁矩和轨道磁矩最显著的变化发生在近表面约3个原子单层的深度范围内。所给出的结果可为实验合成具有不同表面的L1$_0$ FeNi超薄膜提供参考。具有不同磁各向异性的L1$_0$ FeNi超薄膜有望应用于自旋电子器件。

英文摘要:

In previous experiments, thin films of L1$\mathrm{_0}$ FeNi with different surfaces, including (001), (110) and (111), were produced and studied. Each surface defines a different alignment of the crystallographic tetragonal axis with respect to the film's plane, resulting in different magnetic anisotropies. In this study, we use density functional theory calculations to examine three series of L1$\mathrm{_0}$ FeNi films with surfaces (001), (010), and (111), and with thicknesses ranging from 0.5 to 3 nm (from 4 to 16 atomic monolayers). Our results show that films (001) have perpendicular magnetic anisotropy, while (010) favor in-plane magnetization, with a clear preference for the tetragonal axis [001]. We propose calling this type of in-plane anisotropy fixed in plane. A film with surface (111) and a thickness of four atomic monolayers has the magnetization easy axis almost perpendicular to the plane of the film. As the thickness of the (111) film increases, the direction of magnetization rotates towards a tetragonal axis [001], positioned at an angle of about 45$^{o}$ to the plane of the film. Furthermore, the magnetic moment of ultrathin films increases by a maximum of 5%, and the most significant changes in spin and orbital magnetic moments occur at a depth of about three near-surface atomic monolayers. The presented results could be useful for experimental efforts to synthesize ultrathin L1$\mathrm{_0}$ FeNi films with different surfaces. Ultrathin L1$\mathrm{_0}$ FeNi films with varying magnetic anisotropies may find applications in spintronic devices.

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