First-principles study of defects and adatoms in silicon carbide honeycomb structures
We present a study of mechanical, electronic and magnetic properties of two-dimensional
(2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi-one …
(2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi-one …
[HTML][HTML] Quantum confinement in Si and Ge nanostructures: Theory and experiment
The role of quantum confinement (QC) in Si and Ge nanostructures (NSs) including quantum
dots, quantum wires, and quantum wells is assessed under a wide variety of fabrication …
dots, quantum wires, and quantum wells is assessed under a wide variety of fabrication …
[HTML][HTML] Depth-sensing ductile and brittle deformation in 3C-SiC under Berkovich nanoindentation
The interplay between ductile and brittle deformation modes in hard brittle materials exhibits
a strong size effect. In the present work, indentation depth-dependent deformation …
a strong size effect. In the present work, indentation depth-dependent deformation …
Enhanced optical performance of electrochemically etched porous silicon carbide
Porous silicon carbide (PSC) was successfully synthesized via electrochemical etching of an
n-type hexagonal silicon carbide (6H-SiC) substrate using various current densities. The …
n-type hexagonal silicon carbide (6H-SiC) substrate using various current densities. The …
Response of mechanical properties and subsurface damage in β-SiC to temperature and crystal plane during nanoindentation simulation
J Chen, H Wu, S Bai, J Huang - Materials Science in Semiconductor …, 2023 - Elsevier
A series of theoretical calculations based on molecular dynamics (MD) was carried out to
investigate the ceramic material mechanical response of β-SiC. Importantly, the effect of …
investigate the ceramic material mechanical response of β-SiC. Importantly, the effect of …
Inhibition of quantum size effects from surface dangling bonds: The first principles study on different morphology SiC nanowires
YJ Li, SL Li, P Gong, YL Li, XY Fang, YH Jia… - Physica B: Condensed …, 2018 - Elsevier
In recent years, we investigated the structure and photoelectric properties of Silicon carbide
nanowires (SiCNWs) with different morphologies and sizes by using the first-principle in …
nanowires (SiCNWs) with different morphologies and sizes by using the first-principle in …
Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires
YJ Li, SL Li, P Gong, YL Li, MS Cao, XY Fang - Physica E: Low-dimensional …, 2018 - Elsevier
The electronic structure and optical properties of the nitrogen and phosphorus doped silicon
carbide nanowires (SiCNWs) are investigated using first-principle calculations based on …
carbide nanowires (SiCNWs) are investigated using first-principle calculations based on …
Neutral vacancy-defect-induced magnetism in SiC monolayer
We perform first-principles calculations to investigate the spin-polarization of vacancy
defects in SiC monolayer. We show that Si and C vacancy defects play different roles in the …
defects in SiC monolayer. We show that Si and C vacancy defects play different roles in the …
Electronic properties of fluorinated silicon carbide nanowires
The control and modulation of the electronic properties of silicon carbide nanowires
(SiCNWs) are crucial for the obtention of materials with specific electronic features for the …
(SiCNWs) are crucial for the obtention of materials with specific electronic features for the …
Effect of material properties on the accuracy of antiresonant approximation: Linear and second-order optical responses
N Tancogne-Dejean, BS Mendoza, V Véniard - Physical Review B, 2014 - APS
Many ab initio calculations, in particular in solid state physics, rely on the antiresonant
approximation. In this paper we discuss the derivation, the validity, and the accuracy of this …
approximation. In this paper we discuss the derivation, the validity, and the accuracy of this …