3 papers
cond-mat.mtrl-sci2025
Geometry, electronic structure, and optical properties of boron cages: A first-principles DFT study
Kashinath T. Chavan, Ihsan Boustani, Alok Shukla
A systematic study of the structural, electronic, and optical properties of cage-like boron clusters, with the number of constituent atoms ranging from 20 to 122, has been carried…
cond-mat.mes-hall2022
Structural stability, electronic structure and optical properties of dimension controlled self-assembled structures from clusters of cadmium telluride
Kashinath T Chavan, Sharat Chandra
We report the first principle theory-based study of stability, electronic structure and optical properties of cluster assembled materials in various 1D, 2D and 3D nanostructures us…
cond-mat.mes-hall2022
Tunnel Barrier to Spin Filter: Electronic Transport Characteristics of Transition Metal Atom Encapsulated in Smallest Cadmium Telluride Cage
Kashinath T Chavan, Sharat Chandra, Anjali Kshirsagar
We report first principles theory-based comparative electronic transport studies performed for an atomic chain of Au, bare Cd9Te9 cage-like cluster and single transition metal (TM)…