论文标题
受控的居里温度，磁晶的各向异性和山谷极化2D铁磁janus 2H-VSES单层
Controlled Curie temperature, magnetocrystalline anisotropy, and valley polarization in 2D ferromagnetic Janus 2H-VSeS monolayer
论文作者
论文摘要
受到固有的铁磁性和高质量温度（T $ _ {C} $）的二维（2D）V二氯化物单层成功合成的启发，电子结构，Spin-Valley启动和Janus 2H-VSES MONEOLAILERS的旋转 - Valley启动和磁性各向异性均可使用第一个Primpipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipipip。结果表明，Janus 2H-VSES单层表现出大型山谷分裂为105mev，高t $ _ {C} $ 278K和良好的磁铁晶型偶然动脉反相（0.31mev），由成本d $ _ {x^2} $ __或d $ _ {2} $^$ __或d $ __或原子。双轴菌株（$ - $ 8％<$ \ varepsilon $ <8％）可以有效调整V atom的磁矩，山谷分裂$δ$ e，t $ _ {C} $和Janus 2H-VSES MONOLAYER的MAE。相应的$δ$ e和t $ _ {C} $从72MEV调整到106.8mev，分别从180k到340K。由于V 3D-Orbital占用的变化，还观察到了从双极磁性半导体（BMS）到半血管导体（HSC），自旋无间隙半导体（SG）和半米（HM）的电子相变。由于空间和时间逆转的对称性破裂，相反的山谷电荷载体携带的浆果曲率与浆果曲率相反，这导致了K和K $^{\ Prime} $ valleys的显着异常的大厅电导率。浆果曲率的最大调制分别可以通过施加双轴应变和荷载载掺杂来达到45％和9.5％。稳定的平面磁晶型各向异性和较大的自发山谷极化使铁磁Janus 2H-VSES单层单层成为实现Spintronics和valleytronics设备的有前途的材料。
Inspired by the successful synthesis of two-dimensional (2D) V-based Janus dichloride monolayers with intrinsic ferromagnetism and high Curie temperature (T$_{c}$), the electronic structure, spin-valley splitting and magnetic anisotropy of Janus 2H-VSeS monolayers are investigated in detailed using first-principles calculations. The results show that the Janus 2H-VSeS monolayer exhibits a large valley splitting of 105meV, high T$_{c}$ of 278K and good magnetocrystalline anisotropy (0.31meV) contributed by the in-plane d$_{x^{2}-y^{2}}$/d$_{xy}$ orbitals of V atoms. The biaxial strain ($-$8%<$\varepsilon$<8%) can effectively tune the magnetic moments of V atom, valley splitting $Δ$E, T$_{c}$ and MAE of Janus 2H-VSeS monolayer. The corresponding $Δ$E and T$_{c}$ are adjusted from 72meV to 106.8meV and from 180K to 340K, respectively. The electronic phase transition from bipolar magnetic semiconductor (BMS) to half-semiconductor (HSC), spin gapless semiconductor (SGS), and half-metal (HM) is also observed due to the change of V 3d-orbital occupation. Due to the broken space- and time-reversal symmetry, the opposite valley charge carriers carry opposite Berry curvature, which leads to prominent anomalous Hall conductivity at the K and K$^{\prime}$ valleys. The maximum modulation of Berry curvature can reach to 45% and 9.5% by applying the biaxial strain and charge carrier doping, respectively. The stable in-plane magnetocrystalline anisotropy and large spontaneous valley polarization make the ferromagnetic Janus 2H-VSeS monolayer a promising material for achieving the spintronics and valleytronics devices.
