Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl)
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 fr...
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| Format: | Article |
| Language: | English |
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American Scientific Publishers
2015
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| Online Access: | http://psasir.upm.edu.my/id/eprint/34678/ http://psasir.upm.edu.my/id/eprint/34678/1/Numerical%20investigation%20of%20vibrational%20properties%20and%20study%20of%20some%20selected%20physical%20properties%20of%20potassium%20chloride.pdf |
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| author | Shuaibu, Alhassan Rahman, Md. Mahmudur Onimisi, Muhammed Yusuf |
| author_facet | Shuaibu, Alhassan Rahman, Md. Mahmudur Onimisi, Muhammed Yusuf |
| author_sort | Shuaibu, Alhassan |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-15T09:25:00Z |
| format | Article |
| id | upm-34678 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T09:25:00Z |
| publishDate | 2015 |
| publisher | American Scientific Publishers |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-346782016-01-22T02:31:42Z http://psasir.upm.edu.my/id/eprint/34678/ Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) Shuaibu, Alhassan Rahman, Md. Mahmudur Onimisi, Muhammed Yusuf 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. American Scientific Publishers 2015-04 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/34678/1/Numerical%20investigation%20of%20vibrational%20properties%20and%20study%20of%20some%20selected%20physical%20properties%20of%20potassium%20chloride.pdf 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 http://www.ingentaconnect.com/content/asp/jctn/2015/00000012/00000004/art00019 10.1166/jctn.2015.3781 |
| spellingShingle | Shuaibu, Alhassan Rahman, Md. Mahmudur Onimisi, Muhammed Yusuf Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title | Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title_full | Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title_fullStr | Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title_full_unstemmed | Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title_short | Numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (KCl) |
| title_sort | numerical investigation of vibrational properties and study of some selected physical properties of potassium chloride (kcl) |
| url | http://psasir.upm.edu.my/id/eprint/34678/ http://psasir.upm.edu.my/id/eprint/34678/ http://psasir.upm.edu.my/id/eprint/34678/ http://psasir.upm.edu.my/id/eprint/34678/1/Numerical%20investigation%20of%20vibrational%20properties%20and%20study%20of%20some%20selected%20physical%20properties%20of%20potassium%20chloride.pdf |