title: Two-Dimensional Heterojunctions from Nonlocal Manipulations of the Interactions.
abstract: We propose to create lateral heterojunctions in two-dimensional materials based on nonlocal manipulations of the Coulomb interaction using structured dielectric environments. By means of ab initio calculations for MoS2 as well as generic semiconductor models, we show that the Coulomb interaction-induced self-energy corrections in real space are sufficiently nonlocal to be manipulated externally, but still local enough to induce spatially sharp interfaces within a single homogeneous monolayer to form heterojunctions. We find a type-II heterojunction band scheme promoted by a laterally structured dielectric environment, which exhibits a sharp band gap crossover within less than 5 unit cells.
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.|Bremen Center for Computational Materials Science, Universität Bremen , Am Fallturm 1a, 28359 Bremen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Rösner
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.|Bremen Center for Computational Materials Science, Universität Bremen , Am Fallturm 1a, 28359 Bremen, Germany.
authors.forename: C
authors.initials: C
authors.lastname: Steinke
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Lorke
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.
authors.forename: C
authors.initials: C
authors.lastname: Gies
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.
authors.forename: F
authors.initials: F
authors.lastname: Jahnke
authors.affiliation: Institut für Theoretische Physik, Universität Bremen , Otto-Hahn-Allee 1, 28359 Bremen, Germany.|Bremen Center for Computational Materials Science, Universität Bremen , Am Fallturm 1a, 28359 Bremen, Germany.
authors.forename: T O
authors.initials: TO
authors.lastname: Wehling
keywords: 2d materials; Coulomb interaction; Heterojunction; nonlocal manipulation; substrate