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Coulomb engineering of two-dimensional Mott materials.

Erik G C P van LoonMalte SchülerDaniel SpringerGiorgio SangiovanniJan M TomczakTim O Wehling
Published in: NPJ 2D materials and applications (2023)
Two-dimensional materials can be strongly influenced by their surroundings. A dielectric environment screens and reduces the Coulomb interaction between electrons in the two-dimensional material. Since in Mott materials the Coulomb interaction is responsible for the insulating state, manipulating the dielectric screening provides direct control over Mottness. Our many-body calculations reveal the spectroscopic fingerprints of such Coulomb engineering: we demonstrate eV-scale changes to the position of the Hubbard bands and show a Coulomb engineered insulator-to-metal transition. Based on our proof-of-principle calculations, we discuss the (feasible) conditions under which our scenario of Coulomb engineering of Mott materials can be realized experimentally.
Keyphrases
  • density functional theory
  • molecular dynamics
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