Single-layer molybdenum ditelluride (MoTe2) has attracted attention due to the smaller energy difference between the semiconducting (1H) and semimetallic (1T′) phases with respect to other two-dimensional transition metal dichalcogenides (TMDs). Understanding the phenomenon of polymorphism between these structural phases is of great fundamental and practical importance. In this paper, we report a 1H to 1T′ phase transition occurring during the chemical vapor deposition (CVD) synthesis of single-layer MoTe2 at 730 °C. The transformation originates at the heterocontact between monoclinic and hexagonal crystals and progresses to either yield a partial or complete 1H to 1T′ phase transition. Microscopic and spectroscopic analyses of the MoTe2 crystals reveal the presence of Te vacancies and mirror twin boundaries (MTB) domains in the hexagonal phase. The experimental observations and theoretical simulations indicate that the combination of heterocontact formation and Te vacancies are relevant triggering mechanisms in the observed transformation. By advancing in the understanding and controlling of the direct synthesis of lateral 1T′/1H heterostructures, this work contributes to the development of MoTe2-based electronic and optoelectronic devices with low contact resistance.

Heterocontact-Triggered 1H to 1T′ Phase Transition in CVD-Grown Monolayer MoTe2: Implications for Low Contact Resistance Electronic Devices

Khaustov, Vladislav O.
;
Convertino, Domenica;Martini, Leonardo;Coletti, Camilla
2024

Abstract

Single-layer molybdenum ditelluride (MoTe2) has attracted attention due to the smaller energy difference between the semiconducting (1H) and semimetallic (1T′) phases with respect to other two-dimensional transition metal dichalcogenides (TMDs). Understanding the phenomenon of polymorphism between these structural phases is of great fundamental and practical importance. In this paper, we report a 1H to 1T′ phase transition occurring during the chemical vapor deposition (CVD) synthesis of single-layer MoTe2 at 730 °C. The transformation originates at the heterocontact between monoclinic and hexagonal crystals and progresses to either yield a partial or complete 1H to 1T′ phase transition. Microscopic and spectroscopic analyses of the MoTe2 crystals reveal the presence of Te vacancies and mirror twin boundaries (MTB) domains in the hexagonal phase. The experimental observations and theoretical simulations indicate that the combination of heterocontact formation and Te vacancies are relevant triggering mechanisms in the observed transformation. By advancing in the understanding and controlling of the direct synthesis of lateral 1T′/1H heterostructures, this work contributes to the development of MoTe2-based electronic and optoelectronic devices with low contact resistance.
2024
Settore PHYS-03/A - Fisica sperimentale della materia e applicazioni
CVD; heterocontact; HRTEM; monolayer; MoTe2; phase transition; quantum materials
   Graphene Flagship Core Project 3
   GrapheneCore3
   European Commission
   Horizon 2020 Framework Programme
   881603
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/151103
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