2 papers
cond-mat.mtrl-sci2024
Electronic, optical, and transport properties of alkali metal oxides (Cs2O): A DFT study
Anjali Kumari, Kamal Kumar, Abhishek Kumar Mishra +1
The electronic, structural, optical, and thermoelectric properties of the Cs2O cubic structure have been investigated using density functional theory (DFT). The calculations utiliz…
cond-mat.mtrl-sci2024
DFT study of structural, electronic and optical properties of 2D MgO monolayer under bi-axial mechanical strain
Kamal Kumar, Anjali Kumari, Soni Mishra +2
The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile an…