First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4
RB Luo, QJ Liu, DH Fan, ZT Liu - Applied Surface Science, 2022 - Elsevier
Based on density functional theory (DFT), we considered a two-dimension material ZnIn 2 S
4 with potential p-type transparent conducting performance. The crystal structures, elastic …
4 with potential p-type transparent conducting performance. The crystal structures, elastic …
Elastic properties and anisotropic effects on waves propagation of zinc-ferrite spinel systems as a function of pressure
Classical Buckingham potentials are used to obtain information on how physical quantities
change under lattice and pressure variations at zero temperature in zinc ferrites (Z n 1− x 2+ …
change under lattice and pressure variations at zero temperature in zinc ferrites (Z n 1− x 2+ …
The calculated electronic and optical properties of β-Ga2O3 based on the first principles
YR Wang, ZX Bai, QJ Liu, ZT Liu, CL Jiang - Journal of Molecular Modeling, 2024 - Springer
Introduction The electronic and optical properties of β-Ga2O3 have been investigated by
CASTEP using first principles. It is found that β-Ga2O3 has an indirect band gap and the …
CASTEP using first principles. It is found that β-Ga2O3 has an indirect band gap and the …
Investigations of Magnetoelastic Coupling in Spinel Cobalt Vanadate Thin Films
S Kim - 2024 - search.proquest.com
Spinel CoV 2 O 4 is a frustrated magnetic material that displays remarkable coupling
between magnetic and structural degrees of freedom. When deposited as an thin film on a …
between magnetic and structural degrees of freedom. When deposited as an thin film on a …