Abstract
Magnetic semiconductor materials have potential applications in spintronic devices. In this work, some nano-device structures based on the magnetic semiconductor NiBr<sub>2</sub> monolayer (NiBr<sub>2</sub>-ML) are designed, their spin-resolved transport and photoelectric properties are studied by using density functional theory combined with non-equilibrium Green’s function method. The results show that both the NiBr<sub>2</sub>-ML PN-junction diodes and sub-3 nanometer PIN-junction field-effect transistors (FETs) exhibit the significant rectification and spin filtering effects in either the armchair or the zigzag direction. The gates can obviously tune the electron transmission of the PIN-junction FETs. The current is significantly suppressed with the increase of gate voltage. In addition, NiBr<sub>2</sub>-ML has a strong response to the blue and green light, thus its phototransistor can generate a strong photocurrent under the irradiation of blue and green light. The research results in this paper reveal the multifunctional characteristics of NiBr<sub>2</sub>-ML, which provides an important reference for the application of nickel-based dihalides in semiconductor spintronic devices and optoelectronic devices.
Highlights
The results show that, both the NiBr2-ML pn-junction diodes and sub-3 nanometer pin-junction field-effect transistors (FETs) exhibit the significant rectification and spin filtering effects in either the armchair or the zigzag direction
此外, NiBr2 单层在可见光区域具有较大的光电导率, Z 型 pin 结光电晶体管对蓝光具有较强的响应; 而 A 型 pin 结光电晶体管 对蓝、绿光均具有较强的响应, 该特性可用于自旋光电器件的研发
Summary
结果表明, 在不同的输运方向(扶手椅形和锯齿形 ), NiBr2 单层 pn 结二极管表现出明显的整流效应 以及自旋过滤效应, 这两种效应在其亚 3 纳米 pin 结场效应晶体管中也同样存在. 随后, 构建了 NiBr2 单层的 pin 结场效应晶体管结构, 揭示了门电极对 其自旋输运性质的调控作用. NiBr2 单层的 真 空 层厚 度 大 于 20 Å, 实空 间网 格密 度 截断 能为 110 Ha (2993 eV). 对 Z 型和 A 型 NiBr2 单层器件的左右电极区域布里渊区分别采用 1×5×260 和 1×7×154 的 Monkhorst-Pack k 点网格进行采样. 图 2 Γ 点附近的自旋向上 (a)和自旋向下(b)的导带和价带的三维(3D)视图及在第一布里渊 区的二维投影图(c-f); 颜色卡显示了导带和价带的能量本征值从低(红色)到高(紫色) Fig. 2.
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