18 citations · 29 across the 8 of their papers we have counts for
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Phosphorus Nanotubes from Chemical Cleavage
Romakanta Bhattarai, Xiao Shen
We propose a strategy to make phosphorus nanotubes from two well-known phosphorus allotropes: violet phosphorus and fibrous red phosphorus. First-principles calculations show that…
Ferroelectric 2D Antimony Oxides with Wide Bandgaps
Romakanta Bhattarai, Kai Ni, Xiao Shen
The first two-dimensional (2D) polymorphs of antimony dioxide, namely, -SbO and -SbO, are predicted using the evolutionary algorithm combined with first-princ…
Optical and Electronic Properties of SiTe_x(x=1,2) from First-Principles
Romakanta Bhattarai, Xiao Shen
The optical and electronic properties of the α-SiTe, β-SiTe, and RX-SiTe_2 are investigated. A detailed analysis of electronic properties is done using standard density functional…
Pressure-Induced Insulator-Metal Transition in Silicon Telluride from First-Principles Calculations
Romakanta Bhattarai, Xiao Shen
Silicon telluride (Si2Te3) is a two-dimensional semiconductor with unique structural properties due to the size contrast between Si and Te atoms. A recent experiment shows that the…
Temperature- and Polarization- Dependent Optical Properties of Single Si2Te3 Nanoplates
Jiyang Chen, Romakanta Bhattarai, Jingbiao Cui +2
We report a combined experimental and computational study of the optical properties of individual silicon telluride (Si2Te3) nanoplates. The p-type semiconductor Si2Te3 has a uniqu…
Predicting A Novel Phase of 2D SiTe
Romakanta Bhattarai, Xiao Shen
Layered IV-VI compounds often exist in the CdI structure. Using the evolution algorithm and first-principles calculations, we predict a novel layered structure of silicon d…
Ultra-High Mechanical Flexibility of 2D Silicon Telluride
Romakanta Bhattarai, Xiao Shen
Silicon telluride (Si2Te3) is a two-dimensional material with a unique variable structure where the silicon atoms form Si-Si dimers to fill the "metal" sites between the Te layers.…
Anisotropic Optical Properties of 2D Silicon Telluride From Ab Initio Calculations
Romakanta Bhattarai, Xiao Shen
Silicon telluride (Si2Te3) is a silicon-based 2D chalcogenide with potential applications in optoelectronics. It has a unique crystal structure where Si atoms form Si-Si dimers to…