• S KRISHNAN

Articles written in Pramana – Journal of Physics

• Elastic constants of sodium chlorate from 77 K to 350 K

The elastic constantsC11,C12 andC44 of sodium chlorate single crystal have been evaluated using 10 MHz ultrasonic pulse echo superposition technique. The values areC11=4.90,C12=1.39,C44=1.17 (× 1010N/m2) at 298 K and 6.15, 2.16, 1.32 (×1010N/m2) at 77 K. The data agree well with the values measured earlier up to 223 K. Brief mention is also made of the low temperature bonding problems in these soft crystals.

• Quantum chemical calculations of $\rm{Cr_{2}O_{3}/SnO_{2}}$ using density functional theory method

Quantum chemical calculations have been employed to study the molecular effects produced by $\rm{Cr_{2}O_{3}/SnO_{2}}$ optimised structure. The theoretical parameters of the transparent conducting metal oxides were calculated using DFT/B3LYP/LANL2DZ method. The optimised bond parameters such as bond lengths, bond angles and dihedral angles were calculated using the same theory. The non-linear optical property of the title compound was calculated using first-order hyperpolarisability calculation. The calculated HOMO–LUMO analysis explains the charge transfer interaction between the molecule. In addition, MEP and Mulliken atomic charges werealso calculated and analysed.

• # Pramana – Journal of Physics

Current Issue
Volume 93 | Issue 6
December 2019

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019