Dergi makalesi Açık Erişim
Souifi, Karim; Raddaoui, Ghada; Nasri, M.; Khelif, J.; Berdimurodov, Elyor; Demir, Muslum; Khirouni, Kamel; Aliev, Nizomiddin
<?xml version='1.0' encoding='UTF-8'?> <record xmlns="http://www.loc.gov/MARC21/slim"> <leader>00000nam##2200000uu#4500</leader> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Raddaoui, Ghada</subfield> <subfield code="u">Univ Gabes, Higher Inst Appl Sci & Technol Gabes ISSATG, Res Unit Adv Mat Appl Mech Innovat Proc & Environm, Gabes 6072, Tunisia</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Nasri, M.</subfield> <subfield code="u">Univ Kairouan, Fac Sci & Technol Sidi Bouzid, Univ Campus Agr City, Sidi Bouzid 9100, Tunisia</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Khelif, J.</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Berdimurodov, Elyor</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Demir, Muslum</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Khirouni, Kamel</subfield> <subfield code="u">Univ Gabes, Fac Sci Gabes Cite Erriadh, Lab Phys Materiaux & Nanomateriaux Appliquee Envir, Gabes 6079, Tunisia</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Aliev, Nizomiddin</subfield> <subfield code="u">Tashkent State Univ Econ, Tashkent 100066, Uzbekistan</subfield> </datafield> <datafield tag="909" ind1="C" ind2="4"> <subfield code="c">13</subfield> <subfield code="p">PHYSICA B-CONDENSED MATTER</subfield> <subfield code="v">674</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">user-tubitak-adresli-yayinlar</subfield> </datafield> <datafield tag="540" ind1=" " ind2=" "> <subfield code="a">Creative Commons Attribution</subfield> <subfield code="u">http://www.opendefinition.org/licenses/cc-by</subfield> </datafield> <datafield tag="024" ind1=" " ind2=" "> <subfield code="a">10.1016/j.physb.2023.415535</subfield> <subfield code="2">doi</subfield> </datafield> <datafield tag="245" ind1=" " ind2=" "> <subfield code="a">Insights into structural, electronic, optical properties, and impedance spectroscopy of semi-doped perovskite Nd0.5Ba0.5CoO3: A theoretical and experimental study</subfield> </datafield> <datafield tag="100" ind1=" " ind2=" "> <subfield code="a">Souifi, Karim</subfield> <subfield code="u">Univ Gabes, Higher Inst Appl Sci & Technol Gabes ISSATG, Res Unit Adv Mat Appl Mech Innovat Proc & Environm, Gabes 6072, Tunisia</subfield> </datafield> <datafield tag="909" ind1="C" ind2="O"> <subfield code="o">oai:aperta.ulakbim.gov.tr:265542</subfield> <subfield code="p">user-tubitak-adresli-yayinlar</subfield> </datafield> <datafield tag="650" ind1="1" ind2="7"> <subfield code="2">opendefinition.org</subfield> <subfield code="a">cc-by</subfield> </datafield> <datafield tag="260" ind1=" " ind2=" "> <subfield code="c">2024-01-01</subfield> </datafield> <datafield tag="856" ind1="4" ind2=" "> <subfield code="u">https://aperta.ulakbim.gov.trrecord/265542/files/bib-36cb777a-5a6a-4c1c-abb1-1f7e0dedf780.txt</subfield> <subfield code="z">md5:7629285c20dc7990706e121d4984dc65</subfield> <subfield code="s">323</subfield> </datafield> <datafield tag="542" ind1=" " ind2=" "> <subfield code="l">open</subfield> </datafield> <controlfield tag="005">20240607113640.0</controlfield> <controlfield tag="001">265542</controlfield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">publication</subfield> <subfield code="b">article</subfield> </datafield> <datafield tag="520" ind1=" " ind2=" "> <subfield code="a"><p>In this study, the electronic, structural, and optical properties of semi-doped perovskite Nd0.5Ba0.5CoO3 (NBCO) were investigate using the CASTEP software, which relies on density functional theory (DFT) along with the correlation function of generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof (PBE). The mesh parameters of the (super) cell indicate that NBCO adopts an orthorhombic structure in the Pmmm space group, featuring a Coulomb Energy (EC) of approximately-244 eV. DFT and total density of states (DOS) analyses reveal that the as-prepared perovskite manifests metallic characteristics, and a notable covalent interaction is observed between the O-p and Co-d spin states, indicating strong hybridization between these orbitals. Remarkably, NBCO demonstrates 100 % spin polarization (P) at the Fermi level, with a calculated total magnetic moment of approximately 3.44 mu B. Moreover, low dielectric loss (tg delta) values suggest facile electron movement, and impedance spectroscopy illustrates a dielectric relaxation phenomenon. DFT calculations predict an ortho-rhombic crystal structure with higher electron density at cobalt atom positions. Band structure and DOS analyses affirm metallic behavior owing to the robust hybridization between oxygen-p and cobalt-d orbitals. Optical property assessments reveal potential applications in spintronics and optoelectronics, with notable absorption in the ultraviolet-visible range. The conductivity spectra from impedance spectroscopy contribute to understanding temperature-dependent charge transport mechanisms. Dielectric constants decrease with increasing frequency and temperature, while dielectric losses remain low, indicating efficient electron movement. The material ad-heres to a metallic conduction mechanism as described by Drude's law, and the material's 100 % spin polari-zation at the Fermi level and a total magnetic moment of 3.44 mu B are significant findings. Negative dielectric constants observed at specific frequencies suggest potential applications in metamaterials. Overall, the deter-mined properties position NBCO cobaltite as a promising candidate for high-frequency devices, spintronic components, and sensors.</p></subfield> </datafield> </record>
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