Zobrazeno 1 - 10
of 139
pro vyhledávání: '"Babu K, Ramesh"'
Autor:
Babu, K. Ramesh, Guo, Guang-Yu
Publikováno v:
Phys. Rev. B 108 (2023) 064505
We perform a systematic \textit{ab initio} density functional study of the superconductivity, electronic and phononic band structures, electron-phonon coupling and elastic constants of all four possible structures of niobium nitride $\beta$-Nb$_2$N a
Externí odkaz:
http://arxiv.org/abs/2305.17999
Autor:
Babu, K. Ramesh, Guo, Guang-Yu
Publikováno v:
Phys. Rev. B 99, 104508 (2019)
In this paper, we investigate the electronic band structure, lattice dynamics and electron-phonon interaction in $\delta$-NbN, $\varepsilon$-NbN and WC-NbN by performing systematic ab initio calculations based on DFT-GGA. The calculated electronic ba
Externí odkaz:
http://arxiv.org/abs/1808.05073
Publikováno v:
Environmental Science & Pollution Research; Jun2024, Vol. 31 Issue 27, p38756-38769, 14p
Autor:
Babu, K. Ramesh, Vaitheeswaran, G.
Publikováno v:
J. Phys.: Condens. Matter 26 235503 (2014)
We report systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH$_2$, NaNH$_2$, KNH$_2$, and RbNH$_2$. The ground state structural prope
Externí odkaz:
http://arxiv.org/abs/1405.7783
Publikováno v:
J. Phys. Chem. C 118, 4325 (2014)
\emph{Ab-initio} calculations were performed on the scheelite type MGeO$_4$ (M = Hf, and Zr) compounds which find wide range of applications such as in x-ray imaging. We have studied the high pressure structural stability, elastic constants, electron
Externí odkaz:
http://arxiv.org/abs/1405.7526
Autor:
Babu, K. Ramesh, Vaitheeswaran, G.
Publikováno v:
Chemical Physics Letters,592,132 (2014)
We present density functional theory calculations on the crystal structure, equation of state, vibrational properties and electronic structure of nitrogen-rich solid energetic material guanidinium 2-methyl-5-nitraminotetrazolate (G-MNAT). The ground
Externí odkaz:
http://arxiv.org/abs/1402.3432
Autor:
Krishna, Y. Hari, Arunamayi, G. V., Babu, K. Ramesh, Kishore, S. Nanda, Rajaiah, M., Mahaboob, B.
Publikováno v:
AIP Conference Proceedings; 2024, Vol. 3122 Issue 1, p1-8, 8p
Publikováno v:
J. Phys. Chem A, Vol 115, Page no 4521 (2011)
The structural, electronic, optical and vibrational properties of LiN$_3$ under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The calculate
Externí odkaz:
http://arxiv.org/abs/1311.1362
Autor:
Babu, K. Ramesh, Vaitheeswaran, G.
Publikováno v:
Chemical Physics Letters, Volume 533, Pages 35-39, (2012)
Structural stability and vibrational properties of KN$_3$ have been studied under pressure using the first principles calculations based on the density functional theory (DFT) as well as with semi empirical dispersion correction to the DFT to treat v
Externí odkaz:
http://arxiv.org/abs/1311.0983
Autor:
Babu, K. Ramesh, Vaitheeswaran, G.
Publikováno v:
Solid state sciences, vol 23, pp, 17-25 (2013)
We report a detailed first principles study on the structural, elastic, vibrational and thermodynamic properties of layered structure energetic alkali metal azides KN$_3$ and RbN$_3$. All the calculations were carried out by means of plane wave pseud
Externí odkaz:
http://arxiv.org/abs/1311.0979