14 citations · 20 across the 4 of their papers we have counts for
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Polymorphism and thermodynamic ground state of Silver fulminate studied from van der Waals density functional calculations
N. Yedukondalu, G. Vaitheeswaran
Silver fulminate (AgCNO) is a primary explosive, which exists in two polymorphic phases namely orthorhombic (\emph{Cmcm}) and trigonal (\emph{R}) forms at ambient conditio…
Density functional study of electronic structure, elastic and optical properties of MNH (M=Li, Na, K, Rb)
K. Ramesh Babu, G. Vaitheeswaran
We report systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH$_…
High Pressure Structural Stability, and Optical Properties of Scheelite type ZrGeO and HfGeO X-ray Phosphor Hosts
G. Shwetha, V. Kanchana, K. Ramesh Babu +2
\emph{Ab-initio} calculations were performed on the scheelite type MGeO (M = Hf, and Zr) compounds which find wide range of applications such as in x-ray imaging. We have studi…
Structural, elastic, optical properties and quasiparticle band structure of solid cyanuric triazide
S. Appalakondaiah, G. Vaitheeswaran, S. Lebègue
In this letter, we report the structural, elastic, and quasiparticle band structure of cynauric triazide. The structural properties using a dispersion corrected method to treat van…