arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1908.02835cond-mat.str-el
收藏

钙钛矿型$4d$和$5d$氧化物屈曲蜂窝晶格中的Chern和$Z_{2}$拓扑绝缘相

Chern and $Z_{2}$ topological insulating phases in perovskite-derived $4d$ and $5d$ oxide buckled honeycomb lattices

Okan Köksal, Rossitza Pentcheva

摘要:

基于包含库仑排斥参数$U$的密度泛函理论计算,我们研究了(LaPDMATHABMNO $_3$)$_2$ /(LaAlO $_3$)$_4$(111)体系的拓扑性质. LaTcO $_3$和LaPtO $_3$的亚稳铁磁相保持P321对称性,并在LaAlO $_3$的横向晶格常数处分别以$C$ =2和1以及41和38 meV的带隙的陈氏绝缘体(CI)出现。Berry曲率、自旋纹理以及边缘状态提供了对CI状态性质的更多见解。当$X$ =Tc时,Cl相在拉伸应变下进一步稳定,而当$X$ =Pd和Pt时,当横向晶格常数从$a_{\rm LAO}$增加到$a_{\rm LNO}$时,发生位点置换。$X$ =Pt的CI相显示出对Hubbard $U$参数的强烈依赖性,对于与带隙打开机制的变化相关的较高值,具有符号反转。讨论了与先前研究的($X_2$ O $_3$)$_1$ /(Al $_2$ O $_3$)$_5$(0001)蜂窝结构层相似的情况。此外,$X$ =Mo和W的非磁性系统被确定为在$a_{\rm LAO}$的$Z_2$拓扑绝缘体的潜在候选者,带隙分别为26和60 meV。计算的边缘状态和$Z_{2}$不变量支持的非平凡的拓扑性质。

英文摘要:

Based on density functional theory calculations including a Coulomb repulsion parameter $U$, we explore the topological properties of (La$X$O$_3$)$_2$/(LaAlO$_3$)$_4$(111) with $X=$ $4d$ and $5d$ cations. The metastable ferromagnetic phases of LaTcO$_3$ and LaPtO$_3$ preserve P321 symmetry and emerge as Chern insulators (CI) with $C$=2 and 1 and band gaps of 41 and 38 meV at the lateral lattice constant of LaAlO$_3$, respectively. Berry curvatures, spin textures as well as edge states provide additional insight into the nature of the CI states. While for $X$=Tc the CI phase is further stabilized under tensile strain, for $X$=Pd and Pt a site disproportionation takes place when increasing the lateral lattice constant from $a_{\rm LAO}$ to $a_{\rm LNO}$. The CI phase of $X$=Pt shows a strong dependence on the Hubbard $U$ parameter with sign reversal for higher values associated with the change of band gap opening mechanism. Parallels to the previously studied ($X_2$O$_3$)$_1$/(Al$_2$O$_3$)$_5$(0001) honeycomb corundum layers are discussed. Additionally, non-magnetic systems with $X$=Mo and W are identified as potential candidates for $Z_2$ topological insulators at $a_{\rm LAO}$ with band gaps of 26 and 60 meV, respectively. The computed edge states and $Z_{2}$ invariants underpin the non-trivial topological properties.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑