Tunable Schottky and ohmic contacts in the Ti2NF2/alpha-Te van der Waals heterostructure

Jiang, Jingwen1; Xu, Yiguo2; Zhang, Xiuwen1,3

2022-08-01

10.1039/d2cp02054h

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   Impact Factor & Quartile

1463-9076

1463-9084

Two dimensional alpha-Te holds great promise in optoelectronic devices because of its high mobility and excellent environmental stability. In this study, the electronic structures and interfacial contact characteristics of the Ti2NF2/alpha-Te van der Waals heterostructure are investigated by means of first-principles calculations. It is found that p-type Schottky contacts with a Schottky barrier (SB) of 0.21 eV are formed at the Ti2NF2/alpha-Te interface. By applying external electric fields or controlling the interlayer coupling between the Ti2NF2 and alpha-Te monolayers, the SB height can be effectively tuned, and all the n-type Schottky, p-type Schottky, n-type ohmic and p-type ohmic contacts can be achieved. Such an extremely high tunability is further found to be closely associated with the charge transfer at the interface, as well as the interface dipole and the potential step. Our results provide an avenue for the design of future alpha-Te-based electronic devices with high performance.

SCI

English

Corresponding

National Key R&D Program of China[2019YFB2204500] ; Shenzhen Science and Technology Program[KQTD20180412181422399] ; National Natural Science Foundation of China["61827815","11774239","12004256","11804230"] ; Shenzhen Science and Technology Innovation Commission["KQTD20170810 105439418","ZDSYS201707271554071","JCYJ20180507181 858539"] ; Guangdong Basic and Applied Basic Research Foundation[2021A1515010219] ; HighLevel University Construction Funds of SZU["860-000002 081209","860-000002110711","866-000002110709"]

Chemistry ; Physics

Chemistry, Physical ; Physics, Atomic, Molecular & Chemical

WOS:000848122800001

ROYAL SOC CHEMISTRY

CHEMISTRY

Web of Science

1.Shenzhen Univ, Coll Phys & Optoelect Engn, Shenzhen Key Lab Flexible Memory Mat & Devices, Shenzhen 518060, Peoples R China
2.Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China
3.Univ Colorado, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA

Jiang, Jingwen,Xu, Yiguo,Zhang, Xiuwen. Tunable Schottky and ohmic contacts in the Ti2NF2/alpha-Te van der Waals heterostructure[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022.

Jiang, Jingwen,Xu, Yiguo,&Zhang, Xiuwen.(2022).Tunable Schottky and ohmic contacts in the Ti2NF2/alpha-Te van der Waals heterostructure.PHYSICAL CHEMISTRY CHEMICAL PHYSICS.

Jiang, Jingwen,et al."Tunable Schottky and ohmic contacts in the Ti2NF2/alpha-Te van der Waals heterostructure".PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022).