Effect of Varying Pnictogen Elements (Pn = N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZnPn.
Pnictogen-based Zintl compounds have fascinating properties. Nowadays these compounds have gained exceptional interest in thermoelectric and optoelectronic fields. Therefore, in this work the structural, electronic and optical properties of SrZnPn (Pn = N, P, As, Sb, Bi) compounds were studied using...
| Publicado en: | Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 73; no. 4; pp. 285 - 294 |
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| Autores principales: | , , , |
| Formato: | Artículo |
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De Gruyter
Apr2018
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=128704385&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 128704385 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 09320784 FL07 jtl: Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences issn: 09320784 maglogo: N pubinfo: dt: Apr2018 vid: 73 iid: 4 pid: 1734 pub: De Gruyter artinfo: ui: 128704385 10.1515/zna-2017-0388 ppf: 285 ppct: 9 formats: tig: atl: Effect of Varying Pnictogen Elements (Pn = N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZnPn. aug: au: Murtaza, G. Yousaf, N. Laref, A. Yaseen, M. affil: Materials Modelling Lab, Department of Physics, Islamia College University, Peshawar, Pakistan Department of Physics, University of Peshawar, Khyber-Pakhtunkhwa, Pakistan Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451, Kingdom of Saudi Arabia Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan su: Optoelectronics Zintl compounds Density functional theory Electronic band structure Atomic orbitals sug: subj: Optoelectronics Zintl compounds Density functional theory Electronic band structure Atomic orbitals keyword: Band Structure Reflection Zintl Compounds ab: Pnictogen-based Zintl compounds have fascinating properties. Nowadays these compounds have gained exceptional interest in thermoelectric and optoelectronic fields. Therefore, in this work the structural, electronic and optical properties of SrZnPn (Pn = N, P, As, Sb, Bi) compounds were studied using state-of-theart density functional theory. The optimised lattice parameters (a, c, c/a and bond lengths) are consistent with the experimental results. The bulk moduli and c/a showed a decrease when changing the Pnictogen (Pn) anion from N to Bi in SrZnPn (Pn = N, P, As, Sb, Bi). The modified Becke-Johnson potential is used for band structure calculations. All compounds show semiconducting behaviour except SrZnBi, which is metallic. Pn-p, Zn-d and Sr-d play an important role in defining the electronic structure of the compounds. The optical conductivity and absorption coefficient strength are high in visible and ultraviolet regions. These band structures and optical properties clearly show that SrZnPn compounds are potential candidates in the fields of optoelectronic and photonic devices. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2018 holdings: @attributes: islocal: N |
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