Citation
Shuaibu, Alhassan and Rahman, Md. Mahmudur and Onimisi, Muhammed Yusuf
(2015)
Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl).
Journal of Computational and Theoretical Nanoscience, 12 (4).
pp. 647-651.
ISSN 1546-1955; ESSN: 1546-1963
Abstract
In this work, we investigate the vibrational properties of diatomic KCl lattice, the dispersion relation, density of states and the specific heat capacity were obtained using a quantum approach analytically, a simulated FOTRAN-90 code program was used to evaluate these properties numerically. The frequencies of the three normal modes at equal intervals of k = ±n π/a (wave vector), along the three symmetry directions [001], [011] and [111] of KCl lattice were calculated. The subroutine was designed to give the output in numerical values that can be drawn graphically using any form of graphical tools, and the result obtained shows an excellent agreement with the many results obtained from other means.
Download File
Official URL or Download Paper: http://www.ingentaconnect.com/content/asp/jctn/201...
|
Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Faculty of Engineering |
| DOI Number: | https://doi.org/10.1166/jctn.2015.3781 |
| Publisher: | American Scientific Publishers |
| Keywords: | Dispersion relation of crystal; Potassium chloride; Quantum approach of dynamical matrix; Specific heat capacity |
| Depositing User: | Nurul Ainie Mokhtar |
| Date Deposited: | 18 Dec 2015 01:34 |
| Last Modified: | 22 Jan 2016 02:31 |
| Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1166/jctn.2015.3781 |
| URI: | http://psasir.upm.edu.my/id/eprint/34678 |
| Statistic Details: | View Download Statistic |
Actions (login required)
 |
View Item |