Spin transport characteristics and photoelectric properties of magnetic semiconductor NiBr<sub>2</sub> monolayer

Wang He-Yan; Gao Yi-Fan; Liao Jia-Bao; Chen Jun-Cai; Li Yi-Lian; Wu Yi; Xu Guo-Liang; An Yi-Peng

doi:10.7498/aps.71.20212384

Abstract

Magnetic semiconductor materials have potential applications in spintronic devices. In this work, some nano-device structures based on the magnetic semiconductor NiBr₂ monolayer (NiBr₂-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 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. 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, NiBr₂-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 NiBr₂-ML, which provides an important reference for the application of nickel-based dihalides in semiconductor spintronic devices and optoelectronic devices.

Keywords:

Authors and contacts

School of Physics, Henan Normal University, Xinxiang 453007, China

Corresponding author: An Yi-Peng, ypan@htu.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11774079), the Science Foundation for the Excellent Youth Scholars of Henan Province, China (Grant No. 202300410226), the Scientific and Technological Innovation Program of Henan Province’s Universities, China (Grant No. 20HASTIT026), the Key Scientific Project of Universities of Henan Province, China (Grant No. 22A140020), and the Young Top-notch Talents Project of Henan Province, China (2021year).

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Cited By

图 1 NiBr₂单层的几何和电子结构　(a) NiBr₂单层的顶部和侧面示意图(x轴表示沿锯齿形方向; y轴表示沿扶手椅形方向); (b) 声子能带和声子投影态密度; 自旋(c)向上态和(d)向下态的元素投影电子能带和投影态密度. 费米能级(E_F)移到了能量零点位置

Figure 1. Geometric and electronic structures of NiBr₂ monolayer (NiBr₂-ML): (a) Schematic diagram of the top and side views of NiBr₂-ML (x axis refers to the zigzag direction of NiBr₂-ML, and y axis indicates its armchair direction); (b) phonon band and projected phonon density of states (Ph-DOS); element-projected band structures and density of states (DOS) for (c) the spin-up and (d) spin-down states. The Fermi level (E_F) is shifted to zero.

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图 2 Γ点附近的(a)自旋向上和(b)自旋向下的导带和价带的三维(3D)视图及在(c)—(f)第一布里渊区的二维投影图; 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)

Figure 2. Three-dimensional (3D) views of the conduction and valence bands for the (a) spin-up and (b) spin-down states around the Γ point, and (c)–(f) their 2D projections in the first Brillouin zone. The colorbar shows the eigenvalues of bands from low (red) to high (purple).

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图 3 NiBr₂单层PN结二极管的自旋输运性质　(a) NiBr₂单层PN结二极管示意图; (b) Z型NiBr₂单层PN结二极管的偏置电压-电流和极化率曲线; (c) Z型NiBr₂单层PN结二极管的整流比曲线; (d)—(f) 在0, –0.8和0.8 V偏置电压下的自旋极化透射谱(左侧)和投影局域态密度图(右侧), 其中上图对应自旋向上态, 下图对应自旋向下态. 图(d)中的颜色卡显示了(d)—(f)中的数据从0 (白色)到高(蓝色)

Figure 3. Spin-resolved transport properties of PN-junction diodes of NiBr₂-ML: (a) Schematic of the PN-junction diodes of NiBr₂-ML. (b) I-V and polarization ratio (PR) curves of Z-type PN-junction diode of NiBr₂-ML; (c) rectifying ratio curve of Z-type PN-junction diode of NiBr₂-ML; (d)–(f) spin-resolved transmission spectra T(E) and projected local density of states under the biases of 0, –0.8, and 0.8 V, where the top panel and bottom panel correspond to spin-up and spin-down state, respectively. The colorbar shows the data from 0 (white) to high (blue).

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图 4 NiBr₂单层PN结二极管的器件特性　(a) Z型NiBr₂单层PN结二极管的微分电导曲线; (b) 偏压相关的自旋向上和自旋向下态的电子透射谱; (c) –0.8 V偏压时k空间相关的自旋电子透射系数T(E, k). 颜色图显示了从0 (白色)到高(蓝色)的图(b)和(c)数据, 其中上图对应自旋向上态, 下图对应自旋向下态

Figure 4. Device properties of the PN-junction diodes of NiBr₂-ML: (a) Difference conductance curves of Z-type PN-junction diodes of NiBr₂-ML; (b) bias-dependent transmission spectra for the spin-up and spin-down states; (c) k-dependent transmission coefficients T(E, k) at –0.8 V. The colormap shows the T(E, k) from 0 (white) to high (blue). Top and bottom panel in (b) and (c) correspond to spin-up and spin-down state, respectively.

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图 5 Z型NiBr₂单层PIN结场效应晶体管在不同栅压下的输运特性　(a)—(c) 0, 1和2 V栅极电压下自旋向上和自旋向下的偏置电流和自旋极化率曲线; (d)—(f) 在0, 1和2 V栅极电压下的自旋极化透射谱和投影局域态密度图, 其中上图对应自旋向上态, 下图对应自旋向下态; (g) NiBr₂单层PIN结场效应晶体管示意图

Figure 5. Transport properties of Z-type NiBr₂-ML PIN-junction field-effect transistors (FET) under different gate voltages: (a)–(c) I-V and polarization ratio curves under the gate voltages of 0, 1, and 2 V, respectively; (d)–(f) spin-resolved transmission spectra T(E) and projected local density of states under the biases of 0, 1, and 2 V, where top and bottom panel correspond to spin-up and spin-down state, respectively; (g) schematic of the NiBr₂-ML FET.

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图 6 在不同栅极电压下, Z型NiBr₂单层PIN结场效应晶体管的自旋向上(up)、自旋向下(dn)及总的(Total)整流比曲线　(a) V_g= 0 V; (b) V_g= 1 V; (c) V_g= 2 V

Figure 6. Spin-up, spin-down, total rectifying ratio curves of Z-type NiBr₂-ML PIN-junction FET under different gate voltages: (a) V_g = 0 V; (b) V_g= 1 V; (c) V_g= 2 V.

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图 7 NiBr₂单层的光电特性　(a) NiBr₂单层的光电导率, 七彩光谱背景色为可见光区; (b) NiBr₂单层的PIN结光电晶体管示意图; (c) Z型NiBr₂单层的PIN结光电晶体管在0 V偏压(无电源)下的自旋光电流密度; (d) 0 V偏压时不同栅极电压下的Z型NiBr₂单层的PIN结光电晶体管光电流谱. IR, VR, UR分别指红外区、可见光区、紫外区

Figure 7. Photoelectric properties of the NiBr₂-ML: (a) Optical-conductivity of NiBr₂-ML, where the embedded spectrum pattern displays the visible region; (b) schematic of the PIN-junction phototransistor of NiBr₂-ML; (c) spin-resolved photocurrent density of the Z-type PIN-junction phototransistor of NiBr₂-ML under zero bias (without power); (d) gate-dependent photocurrent spectra of the Z-type phototransistor of NiBr₂-ML under zero bias. IR, VR, and UR refer to the infrared, visible, and ultraviolet region, respectively.

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Spin transport characteristics and photoelectric properties of magnetic semiconductor NiBr₂ monolayer

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Spin transport characteristics and photoelectric properties of magnetic semiconductor NiBr2 monolayer

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Spin transport characteristics and photoelectric properties of magnetic semiconductor NiBr₂ monolayer