138 citations · 620 across the 14 of their papers we have counts for
14 papers
Charge-Density-Wave Phase Transitions in Monolayer 1T-TaS2 from Universal Machine Learning Molecular Dynamics
Valentina Nesterova, Tribhuwan Pandey, Tom Berlijn +3
Charge-density-wave (CDW) phases in 1T transition-metal dichalcogenides arise from strong electron-phonon coupling and accompanying lattice instabilities. Capturing their temperatu…
Flattening conduction and valence bands for interlayer excitons in a moiré MoS/WSe heterobilayer
Sara Conti, Andrey Chaves, Tribhuwan Pandey +4
We explore the flatness of conduction and valence bands of interlayer excitons in MoS/WSe van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and exter…
Effect of Hydrostatic Pressure on Lone Pair Activity and Phonon Transport in BiOS
N. Yedukondalu, Tribhuwan Pandey, S. C. Rakesh Roshan
Dibismuth dioxychalcogenides, BiOCh (Ch = S, Se, Te) are emerging class of materials for next generation electronics and thermoelectrics with an ultrahigh carrier mobility…
Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers
T. Pandey, F. M. Peeters, M. V. Milovsevic
Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity () in magnetic materials, as we demonstrate here for CrX (…
Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization
Tribhuwan Pandey, Lucian Covaci, Francois M. Peeters
The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dep…
Single Crystal Permanent Magnet: Extraordinary Magnetic Behavior in the ta, Cu and Fe Substituted CeCo5 System
Tej N. Lamichhane, Michael T. Onyszczak, Olena Palasyuk +12
To reduce material and processing costs of commercial permanent magnets and to attempt to fill the empty niche of energy products, 10 - 20 MGOe, between low-flux (ferrites, alnico)…
Magnetic properties of single crystalline itinerant ferromagnet AlFe2B2
Tej N. Lamichhane, Li Xiang, Qisheng Lin +7
Single crystals of AlFeB have been grown using the self flux growth method and then measured the structural properties, temperature and field dependent magnetization, a…
Borderline Magnetism: How Does Adding Magnesium to Paramagnetic CeCo Make a 450 K Ferromagnet with Large Magnetic Anisotropy?
Tribhuwan Pandey, David S. Parker
A recent experimental study (Phys. Rev. Appl. 9, 024023, 2018) on paramagnetic CeCo finds that Magnesium alloying induces a ferromagnetic transition with intrinsic properties l…
Giant Thermal Conductivity Enhancement in Multilayer MoS2 under Highly Compressive Strain
Xianghai Meng, Tribhuwan Pandey, Suyu Fu +9
Multilayer MoS2 possesses highly anisotropic thermal conductivities along in-plane and cross-plane directions that could hamper heat dissipation in electronics. With about 9% cross…
Magnetic order and interactions in ferrimagnetic Mn3Si2Te6
Andrew F. May, Yaohua Liu, Stuart Calder +6
The magnetism in MnSiTe has been investigated using thermodynamic measurements, first principles calculations, neutron diffraction and diffuse neutron scattering on sin…
Semiconductor to metal transition in bilayer phosphorene under normal compressive strain
Aaditya Manjanath, Atanu Samanta, Tribhuwan Pandey +1
Phosphorene, a two-dimensional (2D) analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far,…
Strain-induced electronic phase transition and strong enhancement of thermopower of TiS2
Atanu Samanta, Tribhuwan Pandey, Abhishek K. Singh
Using first principles density functional theory calculations, we show a semimetal to semiconducting electronic phase transition for bulk TiS 2 by applying uniform biaxial tensile…
Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS
Swastibrata Bhattacharyya, Tribhuwan Pandey, Abhishek K. Singh
The sensitive dependence of electronic and thermoelectric properties of MoS on the applied strain opens up a variety of applications in the emerging area of straintronics. Usin…
Thermoelectric properties of -FeSi
Tribhuwan Pandey, David J. Singh, David Parker +1
We investigate the thermoelectric properties of -FeSi using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower f…