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Browsing by Subject "ELECTRONIC-STRUCTURE"

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Development of modulation, pairing mechanism, and slip system with optimum vanadium substitution at Bi-sites in Bi-2212 ceramic structure

Ulgen, AT; Okur, S; Erdem, U; Terzioglu, C; Turgay, T; Turkoz, MB; Yildirim, G (2023)

Present study focuses extensively on the change in electrical, superconducting and microhardness parameters with partial substitution of trivalent V+3 impurities replacing Bi+3 ions in Bi-2212 ceramic compound with the aid ...
Novel Mn(II) and Zn(II) complexes of 6-bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations

Avci, Davut; Saeedi, Yalda; Basoglu, Adil; Dege, Necmi; Alturk, Sumeyye; Tamer, Omer; Atalay, Yusuf (WILEY, 2021)

The Mn(II) and Zn(II) complexes of 6-bromopicolinic acid (6-BrpicH) were synthesized for the first time, and their molecular structures were determined by X-ray diffraction (XRD) technique. The detailed experimental spectral ...
Probing the physical and superconducting properties of hexagonal ZrRuAs: A first-principles calculation

Tutuncu, H. M.; Taslipinar, B.; Uzunok, H. Y.; Karaca, Ertugrul; Bagci, S. (ELSEVIER, 2020)

In the presented work, ab initio pseudopotential calculations have been realized on structural, electronic, elastic, mechanical, phonon and electron-phonon interaction properties for ZrRuAs with the hexagonal ZrNiAl-type ...
Rare earth Gd-doped NiFe2O4 @2D layered carbonaceous composite: Synthesis, structural evaluation and photocatalytic parameters studies

Alzahrani, FMA; Almutairi, ST; Anwar, A; Irshad, A; Alrowaili, ZA; Sabeeh, H; Zulfiqar, S; Al-Buriahi, MS (2023)

NiFe2O4 (F-1) and rare earth metal (Gd) doped NiFe2O4 (F-2) were prepared via a co-precipitation approach. Gd-NiFe2O4@rGO (F-3) was prepared via an ultrasonication route for the degradation of pendimethalin under sunlight. ...