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arXiv 2006.07299cond-mat.mtrl-scicond-mat.str-el
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半金属${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$和${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$中磁序、磁各向异性和能带拓扑的控制

Controlling Magnetic Order, Magnetic Anisotropy, and Band Topology in Semimetals ${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$ and ${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$

Farhan Islam, Renu Choudhary, Yong Liu, Benjamin G. Ueland, Durga Paudyal, Thomas Heitmann, Robert J. McQueeney, David Vaknin

摘要:

中子衍射和磁化率研究表明,正交单晶的拓扑半金属${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$和${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$进行三维C型反铁磁(AFM)有序的Mn $^{2+}$矩在$T_N = 200\pm10$和$210\pm12$ K,分别显着低于母体SrSb $_2$与$T_N=297 \pm 3$ K。磁化强度与施加的磁场(垂直于MnSb平面)低于$T_N$表现出轻微修改的de Haas van Alphen振荡的Zn掺杂晶体相比,母体化合物。相比之下,Cu掺杂的系统不显示德哈斯范阿尔芬磁振荡,这表明,无论是Cu取代Mn的母体化合物的电子结构发生了很大的变化,或Cu网站是强大的散射载体,显着缩短其平均自由程,从而减少振荡。包括自旋-轨道耦合的密度泛函理论(DFT)计算预测母体、Cu-和Zn-掺杂系统的C-型AFM状态,并识别$a$ -轴(即,垂直于Mn层)作为母体中的易磁化方向和12.5%的Cu或Zn替代。相比之下,25%的Cu含量将易磁化改变为$b$ -轴(即,在Mn层内)。我们发现Cu和Zn在SrMnSb $_2$中的掺入使费米能级附近的电子能带发生调谐,从而导致不同的能带拓扑和半金属度。母体和Zn掺杂系统在Y点周围具有电子和空穴袋共存的开放的狄拉克锥,而Cu掺杂系统在费米能级周围具有扭曲的狄拉克锥。可调谐的电子结构可能指出合理化的实验观察到的德哈斯范阿尔芬磁振荡的可能性。

英文摘要:

Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals ${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$ and ${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$ undergo three dimensional C-type antiferromagnetic (AFM) ordering of the Mn$^{2+}$ moments at $T_N = 200\pm10$ and $210\pm12$ K, respectively, significantly lower than that of the parent SrMnSb$_2$ with $T_N=297 \pm 3$ K. Magnetization versus applied magnetic field (perpendicular to MnSb planes) below $T_N$ exhibits slightly modified de Haas van Alphen oscillations for the Zn-doped crystal as compared to that of the parent compound. By contrast, the Cu-doped system does not show de Haas van Alphen magnetic oscillations, suggesting that either Cu substitution for Mn changes the electronic structure of the parent compound substantially, or that the Cu sites are strong scatterers of carriers that significantly shorten their mean free path thus diminishing the oscillations. Density functional theory (DFT) calculations including spin-orbit coupling predict the C-type AFM state for the parent, Cu-, and Zn-doped systems and identify the $a$-axis (i.e., perpendicular to the Mn layer) as the easy magnetization direction in the parent and 12.5% of Cu or Zn substitutions. In contrast, 25% of Cu content changes the easy magnetization to the $b$-axis (i.e., within the Mn layer). We find that the incorporation of Cu and Zn in SrMnSb$_2$ tunes electronic bands near the Fermi level resulting in different band topology and semi-metallicity. The parent and Zn-doped systems have coexistence of electron and hole pockets with opened Dirac cone around the Y-point whereas the Cu-doped system has dominant hole pockets around the Fermi level with a distorted Dirac cone. The tunable electronic structure may point out possibilities of rationalizing the experimentally observed de Haas van Alphen magnetic oscillations.

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