Bilayer tellurene-metal interfaces  

作　　者：Hua Pang Jiahuan Yan Jie Yang Shiqi Liu Yuanyuan Pan Xiuying Zhang Bowen Shi Hao Tang Jinbo Yang Qihang Liu Lianqiang Xu Yangyang Wang Jing Lv 

机构地区：[1]State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China [2]Collaborative Innovation Center of Quantum Matter, Beijing 100871, China [3]Shenzhen Institute for Quantum Science and Technology and Department of Physics, Southern University of Science and Technology, Shenzhen 518055, China [4]School of Physics and Electronic Information Engineering, Engineering Research Center of Nanostructure and Functional Materials, Ningxia Normal University, Guyuan 756000, China [5]Nanophotonics and Optoelectronics Research Center, Qian Xuesen Laboratory of Space Technology, China Academy of Space Technology, Beijing 100094, China [6]Beijing Key Laboratory for Magnetoeletric Materials and Devices (BKL-MEMD), Beijing 100871, China

出　　处：《Journal of Semiconductors》2019年第6期48-57,共10页半导体学报（英文版）

基　　金：supported by the National Natural Science Foundation of China(Nos.11674005,11664026,11704406);the National Materials Genome Project of China(No2016YFB0700600);the Key Research and Development Program of Ningxia(No.2018BEE03023);the Natural Science Foundation of Ningxia(No.2018AAC03236);the Higher Schoo Scientific Research Project of Ningxia Department of Education(No.NGY2018-130);the Key Scientific Research Project of Ningxia Normal University(No.NXSFZDA1807);the Youth Talent Support Program of Ningxia,China(2016)

摘　　要：Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal electrodes is a feasible doping means to inject carriers. However, Schottky barrier often arises at the metal–semiconductors interface, impeding the transport of carriers. Herein, we investigate the interfacial properties of BL tellurene by contacting with various metals including graphene by using ab initio calculations and quantum transport simulations. Vertical Schottky barriers take place in Ag, Al, Au and Cu electrodes according to the maintenance of the noncontact tellurene layer band structure. Besides, a p-type vertical Schottky contact is formed due to the van der Waals interaction for graphene electrode. As for the lateral direction, p-type Schottky contacts take shape for bulk metal electrodes(hole Schottky barrier heights(SBHs) ranging from 0.19 to 0.35 eV). Strong Fermi level pinning takes place with a pinning factor of 0.02. Notably, a desirable p-type quasi-Ohmic contact is developed for graphene electrode with a hole SBH of 0.08 eV. Our work sheds light on the interfacial properties of BL tellurene based transistors and could guide the experimental selections on electrodes.Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal electrodes is a feasible doping means to inject carriers. However, Schottky barrier often arises at the metal–semiconductors interface, impeding the transport of carriers. Herein, we investigate the interfacial properties of BL tellurene by contacting with various metals including graphene by using ab initio calculations and quantum transport simulations. Vertical Schottky barriers take place in Ag, Al, Au and Cu electrodes according to the maintenance of the noncontact tellurene layer band structure. Besides, a p-type vertical Schottky contact is formed due to the van der Waals interaction for graphene electrode. As for the lateral direction, p-type Schottky contacts take shape for bulk metal electrodes(hole Schottky barrier heights(SBHs) ranging from 0.19 to 0.35 eV). Strong Fermi level pinning takes place with a pinning factor of 0.02. Notably, a desirable p-type quasi-Ohmic contact is developed for graphene electrode with a hole SBH of 0.08 eV. Our work sheds light on the interfacial properties of BL tellurene based transistors and could guide the experimental selections on electrodes.

关 键 词：BILAYER tellurene SCHOTTKY BARRIER QUANTUM transport simulation FIRST-PRINCIPLES CALCULATION 

分 类 号：TN[电子电信]