Publication Title Lattice Dynamics in Some FCC Metals: Application of Phonon Dispersions in Nickel (Ni) and Platinium (Pt)
Publication Type journal
Publisher Solid State Technology
Paper Link http://www.solidstatetechnology.us/
Publication Authors Omamoke O. E. Enaroseha , Obed Oyibo, Priscilla O. Osuhor , Ovie Oghenerhor
Year Published 2021-06-08
Abstract The computational theoretical investigation of lattice dynamics induced by phonon –
electrons interactions were carried out in some FCC metals; Ni and Pt to described the results
along the X, W, L points of the BZ which were compared with results obtained from analytical,
quantum espresso and experimental data.
Frequency calculations of the 1- 9NN for Pt, and 1-6NN for Ni using inter – atomic
force constant (IFCs) approach, the results obtained are reasonably close to experimental results
which are available in the literature. We also observed smaller values of force constants for
neighbours higher than the fourth neighbour. The computational lattice error of the LDA in Ni
was – 2.7% and this was corrected to 0.2% using the GGA while the lattice constant of Pt was
overestimated by 0.1% and this was also corrected to 2.1% by GGA. In Nickel the phonons of
the IFCs predict well the experimental phonons than those from quantum espresso code.
We also employed the nineth (1-9NN) neighbour force constant to elucidate the nature of
phonon diagrams of Pt while the first to sixth neighbour force constant has been employed to
calculate the phonon diagrams of Ni analytically.
Publication Title Theoretical Study of Phonon Spectra in Aluminium (Al) and Copper (Cu): Application of Density Functional Theory and Inter – Atomic Force Constant
Publication Type journal
Publisher Solid State Technology
Paper Link http://www.solidstatetechnology.us/
Publication Authors Omamoke O. E. Enaroseha, Priscilla O. Osuhor , Obed Oyibo And Ernest O. Ojegu
Year Published 2021-06-08
Abstract Theoretical study were used to calculate the dynamical properties of Al and Cu in the FCC
structure by using analytical and density functional theory (DFT) within LDA and GGA functional.
We calculated phonon frequency and described the results along the X, W, L points of the BZ which
were compared with results obtained from analytical, quantum espresso and experimental data.
The results obtained show that the phonon spectra for Cu using analytical method which implements
the inter – atomic force constant (IFCs) have been found to be closer to experimental results using 1st
– 9
th neighbour IFCs with a better percentage error when compared to 1st
– 8
th neighbour. For Al,
LDA underestimates the lattice of about 2.4% while the GGA overestimates it by 0.3%
Publication Type journal
Publisher AJOSSE
Paper Link http://www.ajosse.com/
Publication Authors Morka, J.C, Ogwu, D. A. Osuhor, O. P.
Year Published 2014-07-22
Abstract At each meteorological observing station, at each standard time of observation,
measurements or estimates are made of pressure, temperature, wind speed and direction,
humidity, state of the sky, weather at the time, visibility and other parameters. These
meteorological parameters are plotted in synoptic charts on which isobars have been drawn
containing a vast array of information which are in turn analyzed for use by forecasters,
aviators and for other aeronautical purposes. The paper attempted to provide a simple means
of estimating geostrophic wind at 3000km-4000km from deduced wind speed
G = p
2wdsin