Work

Mo-4d Orbital Selectivity Induced by Disorder and Substrate–Film Interaction in Monolayer MoS2

Year: 2026

Type: article

Abstract: Based on DFT+DMFT calculations, we explore the interplay between electron correlations, lattice disorder and substrate–film interaction on the Mo-4d spectra MoS2 monolayer. We show that MoS2 serves as an ideal testing ground for the exploration of weakly correlated phenomena with tunable semiconducting-to-metal phase transitions. We also show why our orbital-selective results in the dirty limit are important to understanding the emergence of substrate-induced localized in-gap states and the implication of it for future memristors for memory-based neuromorphic computing.

Source: Semiconductors and Heterogeneous Integration

DOI: 10.3390/shi1010003

Author: Luis Craco

Institutions: Leibniz Institute for Solid State and Materials Research, Universidade Federal de Mato Grosso

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

Funders: Conselho Nacional de Desenvolvimento Científico e Tecnológico, Financiadora de Estudos e Projetos

Awards: G2322936126, G3688472698