Promoted Electronic Coupling of Acoustic Phonon Modes in Doped Semimetallic MoTe2

ACS Nano. 2023 Sep 12;17(17):16530-16538. doi: 10.1021/acsnano.3c01229. Epub 2023 Aug 30.

Abstract

As a prototype of the Weyl superconductor, layered molybdenum ditelluride (MoTe2) encompasses two semimetallic phases (1T' and Td) which differentiate from each other via a slight tilting of the out-of-plane lattice. Both phases are subjected to serious phase mixing, which complicates the analysis of its origin of superconductivity. Herein, we explore the electron-phonon coupling (EPC) of the monolayer semimetallic MoTe2, without phase ambiguity under this thickness limit. Apart from the hardening or softening of the phonon modes, the strength of the EPC can be strongly modulated by doping. Specifically, longitudinal and out-of-plane acoustic modes are significantly activated for electron doped MoTe2. This is ascribed to the presence of rich valley states and equispaced nesting bands, which are dynamically populated under charge doping. Through comparing the monolayer and bilayer MoTe2, the strength of EPC is found to be less likely to depend on thickness for neutral samples but clearly promoted for thinner samples with electron doping, while for hole doping, the strength alters more significantly with the thickness than doping. Our work explains the issue of the doping sensitivity of the superconductivity in semimetallic MoTe2 and establishes the critical role of activating acoustic phonons in such low-dimensional materials.

Keywords: charge doping; electron−phonon coupling; first-principles calculation; molybdenum ditelluride; superconductivity; two-dimensional materials.