First-principles study of electronic and magnetic properties of self-intercalated van der Waals magnet Cr_(3)Ge_(2)Te_(6)  

作　　者：Jia-wan Li Shi-Bo Zhao Lin Zhuang Yusheng Hou 李家万;赵世博;庄琳;侯玉升

机构地区：[1]Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices,Center for Neutron Science and Technology,School of Physics,Sun Yat-Sen,Guangzhou 510275,China

出　　处：《Chinese Physics B》2025年第3期491-497,共7页中国物理B(英文版)

基　　金：Project supported by the National Key R&D Program of China(Grant No.2022YFA1403301);the National Natural Science Foundation of China(Grant Nos.12474247 and 92165204);the Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices(Grant No.2022B1212010008);the support from the Fundamental Research Funds for the Central Universities,Sun Yat-Sen University(Grant No.24qnpy108)。

摘　　要：Self-intercalated van der Waals magnets,characterized by self-intercalating native atoms into van der Waals layered structures with intrinsic magnetism,exhibit a variety of novel physical properties.Here,using first-principles calculations and Monte Carlo simulations,we report a self-intercalated van der Waals ferromagnet,Cr_(3)Ge_(2)Te_(6),which has a high Curie temperature of 492 K.We find that Cr_(3)Ge_(2)Te_(6)is nearly half-metallic with a spin polarization reaching up to 90.9%.Due to the ferromagnetism and strong spin-orbit coupling effect in Cr_(3)Ge_(2)Te_(6),a large anomalous Hall conductivity of 138Ω^(-1)·cm^(-1)and 305Ω^(-1)·cm^(-1)can be realized when its magnetization is along its magnetic easy axis and hard axis,respectively.By doping electrons(holes)into Cr_(3)Ge_(2)Te_(6),these anomalous Hall conductivities can be increased up to 318Ω^(-1)·cm^(-1)(648Ω^(-1)·cm^(-1)).Interestingly,a five-layer Cr_(3)Ge_(2)Te_(6)thin film retains room-temperature ferromagnetism with a higher spin polarization and larger anomalous Hall conductivity.Our study demonstrates that Cr_(3)Ge_(2)Te_(6)is a novel room-temperature self-intercalated ferromagnet with high-spin polarization and large anomalous Hall conductivity,offering great opportunities for designing nano-scale electronic devices.

关 键 词：self-intercalated van der Waals magnet room-temperature ferromagnet near half-metallicity large anomalous Hall conductivity 

分 类 号：O48[理学—固体物理]