Effective tight-binding model for under electric and magnetic fields
Abstract
We present a systematic method for developing a five band Hamiltonian for the metal d orbitals that can be used to study the effect of electric and magnetic fields on multilayer MX2 (M=Mo,W and X=S,Se) systems. On a hexagonal lattice of d orbitals, the broken inversion symmetry of the monolayers is incorporated via fictitious s orbitals at the chalcogenide sites. A tight-binding Hamiltonian is constructed and then downfolded to get effective d orbital overlap parameters using quasidegenerate perturbation theory. The steps to incorporate the effects of multiple layers, external electric and magnetic fields are also detailed. We find that an electric field produces a linear-k Rashba splitting around the Γ point, while a magnetic field removes the valley pseudospin degeneracy at the ±K points. Lastly, our model provides a simple tool to understand the recent experiments on electric and magnetic control of valley pseudospin in monolayer dichalcogendies.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of Missouri, Columbia, MO (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1190761
- Alternate Identifier(s):
- OSTI ID: 1198530
- Grant/Contract Number:
- AC05-00OR22725; FG02-00ER45818
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 91; Journal Issue: 23; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Shanavas, Kavungal Veedu, and Satpathy, S. Effective tight-binding model for MX2 under electric and magnetic fields. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.91.235145.
Shanavas, Kavungal Veedu, & Satpathy, S. Effective tight-binding model for MX2 under electric and magnetic fields. United States. https://doi.org/10.1103/PhysRevB.91.235145
Shanavas, Kavungal Veedu, and Satpathy, S. Mon .
"Effective tight-binding model for MX2 under electric and magnetic fields". United States. https://doi.org/10.1103/PhysRevB.91.235145. https://www.osti.gov/servlets/purl/1190761.
@article{osti_1190761,
title = {Effective tight-binding model for MX2 under electric and magnetic fields},
author = {Shanavas, Kavungal Veedu and Satpathy, S.},
abstractNote = {We present a systematic method for developing a five band Hamiltonian for the metal d orbitals that can be used to study the effect of electric and magnetic fields on multilayer MX2 (M=Mo,W and X=S,Se) systems. On a hexagonal lattice of d orbitals, the broken inversion symmetry of the monolayers is incorporated via fictitious s orbitals at the chalcogenide sites. A tight-binding Hamiltonian is constructed and then downfolded to get effective d orbital overlap parameters using quasidegenerate perturbation theory. The steps to incorporate the effects of multiple layers, external electric and magnetic fields are also detailed. We find that an electric field produces a linear-k Rashba splitting around the Γ point, while a magnetic field removes the valley pseudospin degeneracy at the ±K points. Lastly, our model provides a simple tool to understand the recent experiments on electric and magnetic control of valley pseudospin in monolayer dichalcogendies.},
doi = {10.1103/PhysRevB.91.235145},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 23,
volume = 91,
place = {United States},
year = {Mon Jun 15 00:00:00 EDT 2015},
month = {Mon Jun 15 00:00:00 EDT 2015}
}
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