B E IYORZOR
Articles written in Pramana – Journal of Physics
Volume 94 All articles Published: 11 June 2020 Article ID 0083 Research Article
We present first-principles calculations on the structural, mechanical, electronic, thermodynamic, lattice dynamic and magnetic properties of RbN in the CsCl, rocksalt (Rs) and zinc-blende (ZB) structures centred on spin-polarised density functional theory (DFT). It was established that in all the three structures, ferromagnetic (FM) state is more stable than the non-magnetic (NM) state. The results show that RbN exhibits half-metallic characteristics at the equilibrium lattice parameters and have small energy gaps of 1.205, 1.092 and 1.364 eV for CsCl, Rs and ZB structures respectively. We find that only the CsCl and Rs structures are mechanically, lattice dynamically and thermodynamically stable. Furthermore, the structures exhibit equal integer magnetic moment of $2 \mu_\rm{B}$ approximately.
Volume 96 All articles Published: 7 April 2022 Article ID 0076 Research Article
In this paper, novel perovskite compounds XMgO$_3$ (X = Na, K and Rb) have been investigated intensively in the framework of density functional theory.
The results of the magnetic and electronic properties of the perovskite reveal that the three perovskites are ferromagnets and are half-metals which
make them idealfor spintronic devices. The magnetic moment of each perovskite is 3
Volume 97, 2023
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2022-2023 Indian Academy of Sciences, Bengaluru.