The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC

WY Ching, YN Xu, P Rulis, L Ouyang - Materials Science and Engineering …, 2006 - Elsevier
The electronic structure, bonding, and optical properties of six polymorphs of SiC: 3C, 2H,
4H, 6H, 15R, and 21R were studied by the density functional-based first-principles OLCAO …

Transitional structures of the interface between graphene and 6H–SiC (0 0 0 1)

W Norimatsu, M Kusunoki - Chemical Physics Letters, 2009 - Elsevier
Direct cross-sectional observations of graphene-on-SiC (0001) by high-resolution
transmission electron microscopy have revealed the presence of a metastable transitional …

SiC/MoS2 layered heterostructures: Promising photocatalysts revealed by a first-principles study

Q Li, L Xu, KW Luo, LL Wang, XF Li - Materials Chemistry and Physics, 2018 - Elsevier
Van der Waals coupling is emerging as a powerful method to engineer atomically-thin
semiconductor materials, which leads to unusual properties and plays an increasingly key …

Ternary pentagonal BNSi monolayer: Two-dimensional structure with potentially high carrier mobility and strong excitonic effects for photocatalytic applications

MJ Varjovi, ME Kilic, E Durgun - Physical Review Materials, 2022 - APS
In recent years many attempts have been made to discover new types of two-dimensional
(2D) nanostructures with novel properties beyond the hexagonal crystals. The prediction of …

Excitonic effects in the optical properties of a SiC sheet and nanotubes

HC Hsueh, GY Guo, SG Louie - Physical Review B—Condensed Matter and …, 2011 - APS
The quasiparticle band structure and optical properties of single-walled zigzag and armchair
SiC nanotubes (SiC-NTs) as well as a single SiC sheet are investigated by ab initio many …

Second-harmonic generation and linear electro-optical coefficients of SiC polytypes and nanotubes

IJ Wu, GY Guo - Physical Review B—Condensed Matter and Materials …, 2008 - APS
The second-order nonlinear optical susceptibility [χ abc (2)] and linear electro-optical
coefficient (rabc) of a large number of single-walled zigzag, armchair, and chiral silicon …

Phonon-limited carrier mobility and temperature-dependent scattering mechanism of -SiC from first principles

F Meng, J Ma, J He, W Li - Physical Review B, 2019 - APS
Electron-phonon coupling is at the core of various regimes of material-based science and
technology. Taking 3 C-silicon carbide (3 C-SiC) as an example, despite its very wide …

Electronic structure and chemical bonding in investigated by soft x-ray emission spectroscopy and first-principles theory

M Magnuson, M Mattesini, O Wilhelmsson… - Physical Review B …, 2006 - APS
The electronic structure in the new transition-metal carbide Ti 4 Si C 3 has been investigated
by bulk-sensitive soft x-ray emission spectroscopy and compared to the well-studied Ti 3 Si …