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Chin. Phys. B, 2023, Vol. 32(12): 127103    DOI: 10.1088/1674-1056/ad04c3
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

Two-dimensional transition metal halide PdX2(X= F, Cl, Br, I): A promising candidate of bipolar magnetic semiconductors

Miao-Miao Chen(陈苗苗), Sheng-Shi Li(李胜世), Wei-Xiao Ji(纪维霄), and Chang-Wen Zhang(张昌文)
School of Physics and Technology, Institute of Spintronics, University of Jinan, Jinan 250022, China
Abstract  Two-dimensional (2D) nanomaterials with bipolar magnetism show great promise in spintronic applications. Manipulating carriers' spin-polarized orientation in bipolar magnetic semiconductor (BMS) requires a gate voltage, but that is volatile. Recently, a new method has been proposed to solve the problem of volatility by introducing a ferroelectric gate with proper band alignment. In this paper, we predict that the PdX2 (X = {F}, Cl, Br, I) monolayers are 2D ferromagnetic BMS with dynamic stability, thermal stability, and mechanical stability by first-principles calculations. The critical temperatures are higher than the boiling point of liquid nitrogen and the BMS characteristics are robust against external strains and electric fields for PdCl2 and PdBr2. Then, we manipulate the spin-polarization of PdCl2 and PdBr2 by introducing a ferroelectric gate to enable magnetic half-metal/semiconductor switching and spin-up/down polarization switching control. Two kinds of spin devices (multiferroic memory and spin filter) have been proposed to realize the spin-polarized directions of electrons. These results demonstrate that PdCl2 and PdBr2 with BMS characters can be widely used as a general material structure for spintronic devices.
Keywords:  PdX2 (X = F,Cl,Br,I)      bipolar magnetic semiconductors      first-principles calculations  
Received:  14 July 2023      Revised:  06 October 2023      Accepted manuscript online:  19 October 2023
PACS:  71.38.Mx (Bipolarons)  
  75.50.Pp (Magnetic semiconductors)  
  73.20.At (Surface states, band structure, electron density of states)  
Fund: Project supported by the Taishan Scholar Program of Shandong Province, China (Grant No.ts20190939), the Independent Cultivation Program of Innovation Team of Jinan City (Grant No.2021GXRC043), the National Natural Science Foundation of China (Grant No.52173283), and the Natural Science Foundation of Shandong Province (Grant No.ZR2020QA052).
Corresponding Authors:  Chang-Wen Zhang     E-mail:  ss_zhangchw@ujn.edu.cn

Cite this article: 

Miao-Miao Chen(陈苗苗), Sheng-Shi Li(李胜世), Wei-Xiao Ji(纪维霄), and Chang-Wen Zhang(张昌文) Two-dimensional transition metal halide PdX2(X= F, Cl, Br, I): A promising candidate of bipolar magnetic semiconductors 2023 Chin. Phys. B 32 127103

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