The calculated electronic structures indicated that the host GeGa 2O 4 spinel oxide and FeFe 2O 4 spinel ferrite were semi-conducting and half-metallic ferromagnetic, respectively, whereas FeGa 2O 4 and GeFe 2O 4 oxides exhibited semi-metallic behavior. For GeGa 2O 4, FeGa 2O 4, GeFe 2O 4, and FeFe 2O 4 oxides, the calculated structural parameters (cation–anion bond lengths and average values of tetrahedral and octahedral radii) predicted the following cation distributions among the A and B atomic sites: ( G e 2 + ) O 4 − 2, ( F e 2 + ) O 4 − 2, ( G e 4 + ) O 4 − 2, and ( F e + 2 ) O 4 − 2. The highest Debye temperature (θ D = 663.77 K) was determined for the FeGa 2O 4 spinel oxide. Analysis of the elastic and mechanical properties showed that all of the spinel oxides followed the Born and Huang criteria for mechanical stability. The spin polarizations of FeGa 2O 4, GeFe 2O 4, and FeFe 2O 4 oxides were calculated as 98.5%, 98.4%, and 100%, respectively. The Fe containing spinel oxides (FeGa 2O 4, GeFe 2O 4, and FeFe 2O 4) were found to be stable in the magnetic phase in contrast to the host GeGa 2O 4 spinel oxide. The results showed that the non-magnetic spinel oxide GeGa 2O 4 exhibited remarkable physical properties due to Fe occupancy at different lattice sites within the spinel lattice.

Structure constraints and instability leading to the post-perovskite phase transition of MgSiO3.This study investigated the structural, elastic, electronic, thermal, magnetic, and optical behavior of GeGa 2O 4, FeGa 2O 4, GeFe 2O 4, and FeFe 2O 4 spinel oxides based on ab-initio calculations.

Journal of Colloid and Interface Science 2011, 353 Superhydrophobic surfaces: From natural to biomimetic to functional.

Zhiguang Guo, Weimin Liu, Bao-Lian Su.

Polymorphism and intergrowth structures in the nanostructured Pr Co system: Pr2Co7 and Pr5Co19. Insight into the Mechanism of Formation of Channel Hydrates via Templating.

ACS Applied Materials & Interfaces 2023, 15 High Power Factor Nb-Doped TiO2 Thermoelectric Thick Films: Toward Atomic Scale Defect Engineering of Crystallographic Shear Structures.

Xiaodong Liu, Demie Kepaptsoglou, Ewa Jakubczyk, Jincheng Yu, Andrew Thomas, Bing Wang, Feridoon Azough, Zhaohe Gao, Xiangli Zhong, Robert Dorey, Quentin M.

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