5 citations · 5 across the 3 of their papers we have counts for
3 papers
Lattice instability, anharmonicity and Raman spectra of BaO under high pressure: A first principles study
K. Lavanya, N. Yedukondalu, S. C. Rakesh Roshan +5
Alkaline-earth metal oxides, in particular MgO and CaO dominate Earths lower mantle, therefore, exploring high pressure behavior of this class of compounds is of significant geophy…
First principles study on small ZrAln and HfAln clusters: structural, stability, electronic states and CO2 adsorption
Hardik L. Kagdada, Shweta D. Dabhi, Venu Mankad +2
We report a first principles study based on density functional theory on the structural and electronic properties of transition metal Zr and Hf doped small aluminum clusters with 1…
Tailoring the Electronic and Magnetic Properties of Peculiar triplet-ground-state Polybenzoid Triangulene
Vaishali Sharma, Som Narayan, Shweta D Dabhi +1
In the present work we have studied the structural and electronic properties of recently synthesized elusive free standing triangulene using density functional theory. Triangulene,…