2 papers
cond-mat.mtrl-sci2019
Structural, vibrational, and electronic properties of TlReO4 studied using a first principles approach
S. Mondal, G. Vaitheeswaran, Daniel Errandonea
Present work provides extensive DFT study of TlReO4 using pseudopotential approach for understanding the structural and vibrational properties and full-potential linearized augment…
cond-mat.mtrl-sci2016
High pressure structural, electronic, and optical properties of polymorphic InVO4 phases
S. Mondal, S. Appalakondaiah, G. Vaitheeswaran
In the present work, we report a detailed density functional theory calculation on polymorphic InVO phases by means of projector augmented wave method. The computed first-order…