34 citations · 134 across the 10 of their papers we have counts for
10 papers
Structure and composition tunable superconductivity, band topology and elastic response of hard binary niobium nitrides NbN, NbN and NbN
K. Ramesh Babu, Guang-Yu Guo
We perform a systematic \textit{ab initio} density functional study of the superconductivity, electronic and phononic band structures, electron-phonon coupling and elastic constant…
Picosecond creation of switchable optomagnets with giant photoinduced Kerr rotations in polar antiferromagnetic (FeZn)MoO
Y. M. Sheu, Y. M. Chang, C. P. Chang +5
On-demand spin orientation with long polarized lifetime and easily detectable signal is an ultimate goal for spintronics. However, there still exists a trade-off between controllab…
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$_…
High Pressure Structural Stability, and Optical Properties of Scheelite type ZrGeO and HfGeO X-ray Phosphor Hosts
G. Shwetha, V. Kanchana, K. Ramesh Babu +2
\emph{Ab-initio} calculations were performed on the scheelite type MGeO (M = Hf, and Zr) compounds which find wide range of applications such as in x-ray imaging. We have studi…
Structural and vibrational properties of nitrogen-rich energetic material guanidinium 2-methyl-5-nitraminotetrazolate
K. Ramesh Babu, G. Vaitheeswaran
We present density functional theory calculations on the crystal structure, equation of state, vibrational properties and electronic structure of nitrogen-rich solid energetic mate…
High Pressure Study of Lithium Azide from Density-Functional Calculations
K. Ramesh Babu, Ch. Bheema Lingam, Surya P. Tewari +1
The structural, electronic, optical and vibrational properties of LiN under high pressure have been studied using plane wave pseudopotentials within the generalized gradient ap…
{\it Ab-initio} study of structural and vibrational properties of KN under pressure
K. Ramesh Babu, G. Vaitheeswaran
Structural stability and vibrational properties of KN have been studied under pressure using the first principles calculations based on the density functional theory (DFT) as w…
Structure, elastic and dynamical properties of KN and RbN: A van der Waals density functional study
K. Ramesh Babu, G. Vaitheeswaran
We report a detailed first principles study on the structural, elastic, vibrational and thermodynamic properties of layered structure energetic alkali metal azides KN and RbN$_…
Lattice dynamics and electronic structure of energetic solids LiN3 and NaN3: A first principles study
K. Ramesh Babu, G. Vaitheeswaran
We report density functional theory calculations on the crystal structure, elastic, lattice dynamics and electronic properties of iso-structural layered monoclinic alkali azides, L…
Quantum chemical studies on beryllium hydride oligomers
Ch. Bheema Lingam, K. Ramesh Babu, Surya P. Tewari +1
The present study explores electronic and structural properties, ionization potential (IP), electron affinity (EA), polarizability (α), chemical potential (μ), hardness (η), softne…