http://202.83.167.189/index.php/Nucleus <p><em>The Nucleus</em> is a well-established, open-access, peer-reviewed multidisciplinary scientific journal that has been in publication since 1964. The journal offers free access to all its content, both electronically and in print, ensuring that research is widely available to the public without any cost barriers. It is accredited as Y-category journal by the Higher Education Commission (HEC), and published biannually. <em>The Nucleus</em> invites research scholars, faculty members, and academicians from various disciplines, particularly in the natural and applied sciences, to submit their original research manuscripts. The journal is committed to promoting flawless and unbiased research, adhering to international publishing standards. The publisher also actively promotes published articles worldwide through various media channels, in line with open access regulations, ensuring that the research reaches a broad audience.</p> <p>The motto of <em>The Nucleus</em> reflects its dedication to transparency, integrity, and the promotion of high-quality research.</p> <p><strong><!--a href='#' id="fullscope" >Read More >></a--></strong></p> en-US <p>For all articles published in <em>The Nucleus</em>, copyright is retained by the authors. Articles are licensed under an open access licence <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank" rel="noopener">[CC Attribution 4.0]</a> meaning that anyone may download and read the paper for free. In addition, the article may be reused and quoted provided that the original published version is cited properly.</p> editorinchief@thenucleuspak.org.pk (Dr. Maaz Khan (Editor-in-Chief)) editorialoffice@thenucleuspak.org.pk (Mr. Touseef Tufail (Editorial Assistant)) Tue, 25 Aug 2026 09:05:44 +0500 OJS 3.3.0.13 http://blogs.law.harvard.edu/tech/rss 60 http://202.83.167.189/index.php/Nucleus/article/view/1520 <p>Physical properties of chromium-doped halide double perovskites (DPs) Cs₂GeX₆ (X= Cl, Br) are estimated with respect to the DFT-based software Wein2k. These materials can be selected for solar cells and photovoltaics owing to their non-toxicity and ecological sustainability. Density functional theory (DFT) calculations investigate the physical characteristics of halides A₂BX₆ (A=Cs; B=Ge; X=Cl, Br), both pure and Cr-doped, which can potentially be applied to thermoelectric applications. Formation conditions and tolerance factors ensure the material's structural and thermodynamic feasibility. The band gap of the material Cs₂GeCl₆ is 4.5 eV; the same for the doped one Cs₂Ge_0.75Cr_0.25Cl₆ is 4.1 eV; the band gap of the material Cs₂GeBr₆ is 3.0 eV, while that of the doped material Cs₂Ge_0.75Cr_0.25Br₆ is 2.5 eV. Cs₂Ge_0.75Cr_0.25Cl₆ and Cs₂Ge_0.75Cr_0.25Br₆ have indirect band gaps, respectively. Furthermore, when the chromium doping ratio increases, so do the equilibrium lattice parameters of Cs₂GeCl₆ and Cs₂GeBr₆. Cs₂GeCl₆: 10.32 Å, Cs₂Ge_0.75Cr_0.25Cl₆: 10.55 Å, and Cs₂GeBr₆: 10.65 Å, Cs₂Ge_0.75Cr_0.25Br₆: 10.85 Å are the calculated lattice parameters. Both compounds have the same total magnetic moment values with 25% Cr doping for Cs₂Ge_0.75Cr_0.25Cl₆and Cs₂Ge_0.75Cr_0.25Br₆. As a result, all of the halides investigated are commonly employed in thermoelectric devices. Thermal conductivity, electrical conductivity, and the Seebeck coefficient are also used to investigate thermoelectric properties. The computed values for PF at 200 K are PF=1.90 and 1.85 , and PF=3.98 and 4.09 at 800 K are measured for Cs₂Ge_0.75Cr_0.25Cl₆and Cs₂Ge_0.75Cr_0.25Br₆, respectively, highlighting their importance in thermoelectric applications. The Seebeck coefficient value drops as temperature increases.</p> S. Abbas, M. A. Khan, S. Niaz Copyright (c) 2026 The Nucleus https://creativecommons.org/licenses/by/4.0 http://202.83.167.189/index.php/Nucleus/article/view/1520 Mon, 24 Aug 2026 00:00:00 +0500