Theoretical Study on Electronic Transport Properties of van der Waals Ferroelectric Tunnel Junctions based on Sliding ReS_(2)Multilayers  

滑移ReS_(2)基范德华铁电隧道结中电输运性质的理论研究

作　　者：DONG Xinlong SUN Xiaowen QIAO Dan LI Zeyu QIAO Zhenhua 董新龙;孙孝文;乔丹;李泽宇;乔振华(山西师范大学物理与信息工程学院,太原030031;山西师范大学磁性分子与磁信息材料教育部重点实验室,材料科学研究院,太原030031;中国科学技术大学国际功能材料量子设计中心,合肥230026;合肥国家实验室,合肥230088)

机构地区：[1]College of Physics and Information Engineering,Shanxi Normal University,Taiyuan 030031,China [2]Key Laboratory of Magnetic Molecules and Magnetic Information Materials of the Ministry of Education,Research Institute of Materials Science,Shanxi Normal University,Taiyuan 030031,China [3]International Center for Quantum Design of Functional Materials,University of Science and Technology of China,Hefei 230026,China [4]Hefei National Laboratory,Hefei 230088,China

出　　处：《低温物理学报》2024年第3期143-167,共25页Low Temperature Physical Letters

基　　金：supported the Natural Science Basic Research Program of Shanxi(No.20210302124252);the Innovation Project for Teaching Reform of Shanxi(No.J20230616).

摘　　要：The discovery of ferroelectricity in two-dimensional(2D)van der Waals(vdW)materials has brought significant functionalities to the 2D materials family,potentially revolutionizing next-generation nanoelectronics and spintronics.Here,we propose van der Waals(vdW)ferroelectric tunnel junctions(FTJs)based on graphene/2·ReS_(2)/PtTe_(2)and graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3,4)heterostructures,and investigate the transport properties of these vdWFTJs by using non-equilibrium Green’s function combined with density functional theory.The calculated results show that at zero bias the maximum TER ratios of graphene/2·ReS_(2)/PtTe_(2),graphene/2·ReS_(2)/h-BN/PtTe_(2),graphene/3·ReS_(2)/h-BN/PtTe_(2)and graphene/4·ReS_(2)/h-BN/PtTe_(2)FTJs can reach 25%,235%,615%and 223%,respectively.By applying an external bias voltage,the TERcanbefurtherenhancedto563%,2.82×10^(4)%,2.06×10^(5)%and 1.05×10^(6)%,respectively.More interestingly,our results indicated that graphene/2·ReS_(2)/PtTe_(2),and graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3 and4)FTJs can exhibit the negative differential resistance effect,which can be modulated by applying electric field.The graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3 and 4)FTJs can exhibit diode characteristics.Our theoretical findings on the transport properties of ReS_(2)-basedFTJsprovide valuable insights for potential experimental studies in the field of van der Waals ferroelectric tunnel junctions.二维铁电材料在实际存储器中有很大的应用前景,有望革命性地改变下一代纳米电子学.我们提出了基于graphene/2·ReS_(2)/PtTe_(2)和graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3,4)异质结构的范德华铁电隧道结,并利用非平衡格林函数和密度泛函理论研究了这些范德华铁电隧道结的输运性质.计算结果表明,在零偏压下,graphene/2·ReS_(2)/PtTe_(2),graphene/2·ReS_(2)/h-BN/PtTe_(2),graphene/3·ReS_(2)/hBN/PtTe_(2)和graphene/4·ReS_(2)/h-BN/PtTe_(2)的最大隧穿电致电阻比率分别可达25%、235%、615%和223%.通过施加外部电压,最大隧穿电致电阻比率可以进一步提高到563%、2.82×10^(4)%、2.06×10^(5)%和1.05×10^(6)%.更有趣的是,我们的研究结果表明graphene/2·ReS_(2)/PtTe_(2)和graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3,4)铁电隧道结表现出负微分电阻效应,该效应可以通过外加电场来调节.graphene/n·ReS_(2)/h-BN/PtTe_(2)(n=2,3,4)铁电隧道结还可以表现出二极管特性.我们对基于ReS_(2)铁电隧道结输运性质的理论发现为范德华铁电隧道结的实验研究提供了重要的指导.

关 键 词：Two-dimensional materials Ferroelectric tunnel junctions Tunneling electro resistance Negative differential resistance effect First principles calculations 

分 类 号：O469[理学—凝聚态物理]