70 citations · 239 across the 15 of their papers we have counts for
12 papers · 1 filter
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…
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…
Unified Band Theoretic Description of Electronic and Magnetic Properties of Vanadium Dioxide Phases
Sheng Xu, Xiao Shen, Kent A. Hallman +2
The debate about whether the insulating phases of vanadium dioxide (VO2) can be described by band theory or must be described by a theory of strong electron correlations remains un…
Variability of structural and electronic properties of bulk and monolayer Si2Te3
Yevgeniy Puzyrev, X. Shen, C. Combs +1
Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental…
Atomic origin of high temperature electron trapping in MOS devices
Xiao Shen, Sarit Dhar, Sokrates T. Pantelides
MOSFETs based on wide band-gap semiconductors are suitable for operations at high temperature, at which additional atomic-scale processes that are benign at lower temperatures can…
Two-dimensional nanovaristors at grain boundaries account for memristive switching in polycrystalline BiFeO3
Xiao Shen, Kuibo Yin, Yevgeniy S. Puzyrev +4
Memristive switching in polycrystalline materials is widely attributed to the formation and rupture of conducting filaments, believed to be mediated by oxygen-vacancy redistributio…
Competing Atomic and Molecular Mechanisms of Thermal Oxidation
Xiao Shen, Sokrates T. Pantelides
The oxidation of SiC and Si provide a unique opportunity for studying oxidation mechanisms because the product is the same, SiO2. Silicon oxidation follows a linear-parabolic law,…
Identification of the major cause of endemically poor mobilities in SiC/SiO2 structures
Xiao Shen, Sokrates T. Pantelides
Materials with good carrier mobilities are desired for device applications, but in real devices the mobilities are usually limited by the presence of interfaces and contacts. Mobil…
Electronic Structure of ZnO nanowire
Xiao Shen, Mark R. Pederson, Jin-Cheng Zheng +3
This paper presents two first-principles calculations on the lattice- and electronic- structures of a small-diameter infinite and truncated ZnO nanowire. The two calculations show…