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Efficient prediction of highly anisotropic excitonic properties in the layered antiferromagnet CrSBr via time-dependent density functional theory
Ashwin Ramasubramaniam, Daniel Hernangómez-Pérez, Javier Junquera +1
CrSBr, a layered anisotropic van der Waals antiferromagnet, has recently emerged as a versatile platform where strong coupling between optical excitations and magnetic order enable…
Piezoelectric Electrostatic Superlattices in Monolayer MoS
Ashwin Ramasubramaniam, Doron Naveh
Modulation of electronic properties of materials by electric fields is central to the operation of modern semiconductor devices, providing access to complex electronic behaviors an…
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials
María Camarasa-Gómez, Ashwin Ramasubramaniam, Jeffrey B. Neaton +1
The accurate description of electronic properties and optical absorption spectra is a long-standing challenge for density functional theory. Recently, the introduction of screened…
Catalysts for the hydrogen evolution reaction in alkaline medium: Configuring a cooperative mechanism at the Ag-AgS-MoS interface
Avraham Bar-Hen, Simon Hettler, Ashwin Ramasubramaniam +3
Designing electrocatalysts for HER in alkaline conditions to overcome the sluggish kinetics associated with the additional water dissociation step is a recognized challenge in prom…
Lateral transition metal dichalcogenide heterostructures for high efficiency thermoelectric devices
Sathwik Bharadwaj, Ashwin Ramasubramaniam, L. R. Ram-Mohan
Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcog…
Protective Molecular Passivation of Black Phosphorous
Vlada Artel, Qiushi Guo, Hagai Cohen +4
Black phosphorous (BP) is one of the most interesting layered materials, bearing promising potential for emerging electronic and optoelectronic device technologies. The crystalline…
Realizing Giant Magneto-Optical Effects in 3D Topological Insulators Without Magnetic Fields
Moti Fridman, Vlada Artel, Anna Peled +3
Topological insulators display unusual light-matter interactions due to the helical nature of surface electronic states. We study the near-field interaction of light propagating in…
Raman scattering and anomalous Stokes anti-Stokes ratio in MoTe2 atomic layers
Thomas Goldstein, Shao-Yu Chen, Di Xiao +2
Stokes and anti-Stokes Raman scattering are performed on atomic layers of hexagonal molybdenum ditelluride (MoTe2), a prototypical transition metal dichalcogenide (TMDC) semiconduc…
Tunable band gaps in bilayer graphene-BN heterostructures
Ashwin Ramasubramaniam, Doron Naveh, ELias Towe
We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is con…
Comment on "Gap opening in graphene by shear strain"
Ashwin Ramasubramaniam
G. Cocco, E. Cadelano, and L. Colombo [Phys. Rev. B 81, 241412(R) (2010)] have suggested that combinations of shear and uniaxial strain can be used to open a band gap in graphene a…
Influence of step-edge barriers on the morphological relaxation of nanoscale ripples on crystal surfaces
V. B. Shenoy, A. Ramasubramaniam, H. Ramanarayan +3
We show that the decay of sinusoidal ripples on crystal surfaces, where mass transport is limited by the attachment and detachment of atoms at the step-edges, is remarkably differe…