TY - JOUR
T1 - 1D metallic states at 2D transition metal dichalcogenide semiconductor heterojunctions
AU - Krishnamurthi, Sridevi
AU - Brocks, Geert
N1 - Funding Information:
This work was financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek” (NWO) through the research program of the former “Stichting voor Fundamenteel Onderzoek der Materie” (NWO-I, formerly FOM) and through the use of supercomputer facilities of NWO “Exacte Wetenschappen” (Physical Sciences). We acknowledge the funding from the Shell-NWO/FOM Computational Sciences for Energy Research program (Project No. 15CSER025)
Publisher Copyright:
© 2021, The Author(s).
Financial transaction number:
342113609
PY - 2021/12
Y1 - 2021/12
N2 - Two-dimensional (2D) lateral heterojunctions between different transition metal dichalcogenides (TMDCs) have been realized in recent years. Homogeneous semiconducting TMDC layers are characterized by a topological invariant, their in-plane electric polarization. It suggests the possibility of one-dimensional (1D) metallic states at heterojunctions where the value of the invariant changes. We study such lateral 2D TMDC junctions by means of first-principles calculations and show that 1D metallic states emerge even in cases where the different materials are joined epitaxially. We find that the metallicity does not depend on structural details, but, as the invariant is protected by spatial symmetry only, it can be upset by breaking the symmetry. Indeed, 1D charge- and spin-density wave instabilities appear spontaneously, making 2D TMDC heterojunctions ideal systems for studying 1D systems.
AB - Two-dimensional (2D) lateral heterojunctions between different transition metal dichalcogenides (TMDCs) have been realized in recent years. Homogeneous semiconducting TMDC layers are characterized by a topological invariant, their in-plane electric polarization. It suggests the possibility of one-dimensional (1D) metallic states at heterojunctions where the value of the invariant changes. We study such lateral 2D TMDC junctions by means of first-principles calculations and show that 1D metallic states emerge even in cases where the different materials are joined epitaxially. We find that the metallicity does not depend on structural details, but, as the invariant is protected by spatial symmetry only, it can be upset by breaking the symmetry. Indeed, 1D charge- and spin-density wave instabilities appear spontaneously, making 2D TMDC heterojunctions ideal systems for studying 1D systems.
UR - http://www.scopus.com/inward/record.url?scp=85104397012&partnerID=8YFLogxK
U2 - 10.1038/s41699-021-00224-1
DO - 10.1038/s41699-021-00224-1
M3 - Article
AN - SCOPUS:85104397012
SN - 2397-7132
VL - 5
JO - npj 2D Materials and Applications
JF - npj 2D Materials and Applications
IS - 1
M1 - 43
ER -