Tunable Schottky and ohmic contacts in the Ti2NF2/α-Te van der Waals heterostructure
文献信息
Jingwen Jiang, Yiguo Xu, Xiuwen Zhang
Two dimensional α-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/α-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/α-Te interface. By applying external electric fields or controlling the interlayer coupling between the Ti2NF2 and α-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 α-Te-based electronic devices with high performance.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














