19 citations · 64 across the 9 of their papers we have counts for
9 papers
The influence of Ga doping on magnetic properties, magnetocaloric effect, and electronic structure of pseudo-binary GdZn1-xGax (x = 0-0.1)
Anis Biswas, Ajay Kumar, Prashant Singh +9
We explore the impact of introducing IIIA-group element Ga in place of IIB-group element Zn in binary intermetallic GdZn on its magnetic and magnetocaloric properties, as well as e…
Understanding the origin of magnetocrystalline anisotropy in pure and Fe/Si substituted SmCo5
Rajiv K. Chouhan, A. K. Pathak, D. Paudyal
We report magnetocrystalline anisotropy of pure and Fe/Si substituted SmCo5. The calculations were performed using the advanced density functional theory (DFT) including onsite ele…
High performance magnetic material with Ce and La: an alternative to Nd-Fe-B magnet
Rajiv K. Chouhan, Arjun K. Pathak, D. Paudyal +1
A systematic study of magnetocrystalline anisotropy is performed for R(La/Ce/Nd)2Fe14B tetragonal compound with the site substitution mechanism. Theoretical calculation suggests th…
Thermodynamics of the SmCo5 compound doped with Fe and Ni: an ab initio study
A. Landa, P. Söderlind, D. Parker +7
SmCo5 permanent magnets exhibit enormous uniaxial magnetocrystalline anisotropy energy and have a high Curie temperature. However, a low energy product presents a significant drawb…
Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys
Jiban Kangsabanik, Rajiv K. Chouhan, D. D. Johnson +1
Au-Fe alloys are of immense interest due to their biocompatibility, anomalous hall conductivity, and applications in various medical treatment. However, irrespective of the method…
Enhanced Li capacity in functionalized graphene: A first principle study with van der Waals correction
Rajiv K. Chouhan, Pushpa Raghani
We have investigated the adsorption of Li on graphene oxide using density functional theory. We show a novel and simple approach to achieve a positive lithiation potential on epoxy…
Graphene Oxide as an Optimal Candidate Material for Methane Storage
Rajiv K. Chouhan, Kanchan Ulman, Shobhana Narasimhan
Methane, the primary constituent of natural gas, binds too weakly to nanostructured carbons to meet the targets set for on-board vehicular storage to be viable. We show, using dens…
Interplay of force constants in the lattice dynamics of disordered alloys : An ab-initio study
Rajiv K. Chouhan, Aftab Alam, Subhradip Ghosh +1
A reliable prediction of interatomic force constants in disordered alloys is an outstanding problem. This is due to the need for a proper treatment of multisite (atleast pair) corr…
Thermal conductivity and diffusion-mediated localization in Fe_{1-x}Cr_{x} Alloys
Aftab Alam, Rajiv K. Chouhan, Abhijit Mookerjee
We apply a new Kubo-Greenwood type formula combined with a generalized Feynman diagram- matic technique to report a first principles calculation of the thermal transport properties…