Preprint
Suppression of charge-density wave and superconductivity in a lithiated NbSe$_2$ monolayer
ArXiV.org
Cornell University
07/16/2025
DOI: 10.48550/arxiv.2507.11856
Abstract
We present an \textit{ab initio} investigation of the long-range charge density wave (CDW) order and superconducting properties of the pristine and lithiated NbSe$_2$ monolayer. Stable CDW structures are obtained through atomic reconstruction driven by soft-mode distortions and lithiation, respectively, lead to significant electronic modifications that suppress the CDW order. This suppression is attributed to anisotropic atomic distortions, along with a reduction in the electronic density of states at the Fermi level. As a result, the electron--phonon coupling strength is suppressed, particularly in the lithiated structure, due to reduced contributions from low-frequency phonons, primarily associated with in-plane Nb vibrations. Finally, we observe a sizable anisotropy in the superconducting gap on the Fermi surface, with a superconducting transition temperature of approximately 8~K in the distorted, and 4~K in the lithiated, CDW NbSe$_2$ monolayer.
Details
- Title: Subtitle
- Suppression of charge-density wave and superconductivity in a lithiated NbSe$_2$ monolayer
- Creators
- Hari PaudyalMichael E Flatté
- Resource Type
- Preprint
- Publication Details
- ArXiV.org
- DOI
- 10.48550/arxiv.2507.11856
- ISSN
- 2331-8422
- Publisher
- Cornell University; Ithaca, New York
- Language
- English
- Date posted
- 07/16/2025
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9984847999802771
Metrics
2 Record Views