Temperature-dependent electronic ground state charge transfer in van der Waals heterostructures

Autor: Park, Soohyung, Wang, Haiyuan, Schultz, Thorsten, Shin, Dongguen, Ovsyannikov, Ruslan, Zacharias, Marios, Maksimov, Dmitrii, Meissner, Matthias, Hasegawa, Yuri, Yamaguchi, Takuma, Kera, Satoshi, Aljarb, Areej, Hakami, Mariam, Li, Lain-Jong, Tung, Vincent, Amsalem, Patrick, Rossi, Mariana, Koch, Norbert
Rok vydání: 2021
Předmět:
Druh dokumentu: Working Paper
Popis: Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of states distribution of the components governs the amount of charge transfer, but a notable dependence on temperature has not yet been considered, particularly for weakly interacting systems. Here, we experimentally observe that the amount of ground state charge transfer in a van der Waals heterostructure formed by monolayer MoS2 sandwiched between graphite and a molecular electron acceptor layer increases by a factor of three when going from 7 K to room temperature. State-of-the-art electronic structure calculations of the full heterostructure that account for nuclear thermal fluctuations reveal intra-component electron-phonon coupling and inter-component electronic coupling as the key factors determining the amount of charge transfer. This conclusion is rationalized by a model applicable to multi-component van der Waals heterostructures.
Databáze: arXiv