Open AccessTheoretical Investigation Of The Insulator-Metal Transition Point Of Nickel Monoxide
Author(s) -
O. Ebomwonyi,
J. O. A. Idiodi
Publication year - 2016
Publication title -
european scientific journal
Language(s) - English
Resource type - Journals
eISSN - 1857-7881
pISSN - 1857-7431
DOI - 10.19044/esj.2016.v12n15p240
Subject(s) - monoxide , coulomb , transition metal , condensed matter physics , materials science , metal–insulator transition , nickel , density functional theory , thermodynamics , metal , physics , chemistry , quantum mechanics , electron , metallurgy , biochemistry , catalysis
The study of the effects of applying high pressure by compression on materials is fundamental to a range of problems in condensed matter physics, materials science, technology, etc. Transition of an insulator into a metallic state is in general a basic phenomenon related to a wide range of physical systems. Nickel monoxide has been studied at different volume compression ratios by employing optical spectra and electronic structure calculations using the density functional theory implemented in the MindLab 5 code that made use of the local density approximation plus the Hubbard on-site Coulomb interaction parameter. Insulator-metal transition point was recorded at 0.60 volume compression ratio from both calculations and a transition pressure of 271 GPa was obtained using the Murnaghan equation of state.