The Critical Role of Interlayer Charge Transfer and Charge Redistribution Inducing the Formation of Phase-Pure Monolayer 1T'-MoTe₂.

Authors

Ziwei Li, Fangyang Zhan, Haoran Ge, Fan Yan, Qiwei Tong, Jiangfan Luo, Sen Xie, Rui Wang, Yong Liu, Qingjie Zhang, Wei Liu, Xinfeng Tang

Published in

ACS nano. Apr 22, 2025. Epub Apr 22, 2025.

Abstract

1T'-MoTe₂ exhibits a variety of intriguing physical properties, consisting of nontrivial higher-order topological behavior, ferroelectricity, superconductivity, and reversible phase transition. Hence, 1T'-MoTe₂ has emerged as a hot spot in the fields of condensed matter physics and materials science. Nevertheless, the large-area synthesis of phase-pure 1T'-MoTe₂ thin films has always been a big challenge for their widespread studies and device applications. In this study, three types of 1T'-MoTe₂/XTe heterojunction films are proposed and fabricated by molecular beam epitaxy. The mechanisms of lattice strain and charge transfer influencing the 2H-1T' phase transition are clearly elucidated, while centimeter-size and phase-pure monolayer 1T'-MoTe₂ can be successfully fabricated via the choice of XTe functional layers. The results reveal that the substantial charge transfer of 0.005-0.056 e/f.u. at the heterojunction interface and the particular electron accumulation in Mo 4d orbitals (0.010-0.016 e/f.u.) are critical for the formation of 1T'-MoTe₂, while, in contrast, the effect from lattice strain that is induced by the underlying XTe layer is negligible. Owing to the most remarkable charge transfer effects, phase-pure monolayer 1T'-MoTe₂ is achieved in the 1T'-MoTe₂/MnTe heterojunction film among all films. This study lays a solid foundation for the in-depth studies of the important physical properties and functional devices based on 1T'-MoTe₂ films and provides valuable suggestions for effective phase control in similar materials utilizing heterojunction engineering.

PMID:
40262057
Bibliographic data and abstract were imported from PubMed on 23 Apr 2025.

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