Suppression of charge-density wave and superconductivity in a lithiated NbSe2 monolayer
Abstract
We present an ab initio investigation of the long-range charge density wave (CDW) order and superconducting properties of the pristine and lithiated NbSe2 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 NbSe2 monolayer.
Turn this paper into a full lesson
ArcXiv compiles a staged curriculum from this paper: 8-12 lessons across beginner → advanced, synthesised section guides, visuals, flashcards, a quiz, exercises, and on-demand deep dives per section. Grounded in the abstract, never invented.