Anharmonicity Reveals the Tunability of the Charge Density Wave Orders in Monolayer VSe 2

VSe is a layered compound that has attracted great attention due to its proximity to a ferromagnetic state that is quenched by its charge density wave (CDW) phase. In the monolayer limit, unrelated experiments have reported different CDW orders with different transition temperatures, making this mon...

Full description

Saved in:
Bibliographic Details
Published in:Nano letters 2023-03, Vol.23 (5), p.1794-1800
Main Authors: Fumega, Adolfo Otero, Diego, Josu, Pardo, Victor, Blanco-Canosa, Santiago, Errea, Ion
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:VSe is a layered compound that has attracted great attention due to its proximity to a ferromagnetic state that is quenched by its charge density wave (CDW) phase. In the monolayer limit, unrelated experiments have reported different CDW orders with different transition temperatures, making this monolayer very controversial. Here we perform first-principles nonperturbative anharmonic phonon calculations in monolayer VSe in order to estimate the CDW order and the corresponding transition temperature. They reveal that monolayer VSe develops two independent charge density wave orders that compete as a function of strain. Variations of only 1.5% in the lattice parameter are enough to stabilize one order or the other. Moreover, we analyze the impact of external Lennard-Jones interactions, showing that these can act together with anharmonicity to suppress the CDW orders. Our results solve previous experimental contradictions, highlighting the high tunability and substrate dependency of the CDW orders of monolayer VSe .
ISSN:1530-6984
1530-6992
DOI:10.1021/acs.nanolett.2c04584