Exciton binding energy and nonhydrogenic Rydberg series in monolayer WS(2).
Strong but unconventional electron-hole interactions are expected to be ubiquitous in atomically thin materials using a microscopic theory in which the nonlocal nature of the effective dielectric screening modifies the functional form of the Coulomb interaction.
Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide.
Recent progress in large-area synthesis of monolayer molybdenum disulphide, a new two-dimensional direct-bandgap semiconductor, is paving the way for applications in atomically thin electronics.…
PySCF: the Python‐based simulations of chemistry framework
The capabilities and design philosophy of the current version of the PySCF package are document, which is as efficient as the best existing C or Fortran‐based quantum chemistry programs.
Excitons in atomically thin transition-metal dichalcogenides
- A. Chernikov, Timothy C. Berkelbach, T. Heinz
- PhysicsConference on Lasers and Electro-Optics
- 8 June 2014
Excitons are studied experimentally and theoretically in atomically thin WS2 layers. We find a binding energy of 0.32eV as well as non-hydrogenic behavior of the exciton states due to the…
Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
We present a microscopic theory of neutral excitons and charged excitons (trions) in monolayers of transition metal dichalcogenides, including molybdenum disulfide. Our theory is based on an…
Observation of biexcitons in monolayer WSe2
- Yumeng You, Xiao-Xiao Zhang, Timothy C. Berkelbach, M. Hybertsen, D. Reichman, T. Heinz
- 1 June 2015
Strong many-body Coulomb interactions allow for bound two- and three-body excitonic states to form in monolayer transition metal dichalcogenides, but it is now shown that such interactions are strong…
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange.
Evidence is found for a superexchange mediated mechanism, whereby the fission process proceeds through virtual charge-transfer states which may be very high in energy, and predicts efficient singlet fission on the sub-picosecond timescale.
Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist.
- A. M. van der Zande, J. Kunstmann, J. Hone
- Physics, Materials ScienceNano letters (Print)
- 19 June 2014
Electronic structure calculations show the interlayer separation changes with twist due to repulsion between sulfur atoms, resulting in shifts of the indirect optical transition energies.
The Python-based Simulations of Chemistry Framework (PySCF)
The capabilities and design philosophy of the current version of the PySCF package are document, which is as efficient as the best existing C or Fortran-based quantum chemistry programs.
Coulomb engineering of the bandgap and excitons in two-dimensional materials
By engineering the surrounding dielectric environment, one can tune the electronic bandgap and the exciton binding energy in monolayers of WS2 and WSe2 by hundreds of meV, as an initial step towards the creation of diverse lateral junctions with nanoscale resolution.