This article presents detailed structural, electronic, magnetic, and thermoelectric properties of two experimentally existing isostructural variant perovskite compounds Tl NbX (X = Cl, Br) with the help of first principles calculations. As per requirement of stability in the device applications, the structural and thermodynamic stabilities were, respectively verified by tolerance factor and negative formation energies. The structural parameters in ferromagnetic phase were calculated and found in close agreement with the available experimental results. The electronic nature was found as half metallic from spin polarized calculations of electronic band structures and density of states, where the semiconductor nature was found in the spin down states and metallic nature in the spin up states. The magnetic moments of both the compounds were calculated as 1 μ majorly contributed by Nb atom. The Boltzmann transport theory was implemented via BoltzTraP for calculating the spin resolved thermoelectric parameters, such as Seebeck coefficient, electronic and thermal conductivities, and figure of merit. Overall, both the compounds were found suitable for use in spintronics and spin Seebeck effect for energy applications.
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http://dx.doi.org/10.1002/jcc.27166 | DOI Listing |
BMC Cardiovasc Disord
December 2024
Department of Medicine, Aga Khan University Hospital, Karachi, 74800, Pakistan.
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Methods: A single-center cross-sectional study was conducted at a tertiary care hospital in Karachi, Pakistan.
Nature
December 2024
State Key Laboratory of Medical Proteomics, Beijing Proteome Research Center, National Center for Protein Sciences (Beijing), Beijing Institute of Lifeomics, Beijing, China.
Sci Rep
December 2024
Department of Physics, Faculty of Science, Menoufia University, Shebin El-Koom, Menoufia, 32511, Egypt.
Barium fluoride borosilicate glass samples reinforced with varying amounts of GdO (BSBLG0-BSBLG4) have been manufactured using the conventional melt quenching procedure in order to provide additional research on the type of borosilicate glass. Structural, physical, and linear optical characteristics as well as γ-ray attenuation capacity of barium fluoride borosilicate doped with GdO was investigated. X-ray diffraction pattern proving the amorphous nature of the glass samples due to the absence of a distinctive crystalline characteristic peak.
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December 2024
Department of Materials Science and Engineering, Korea University, Seoul, Republic of Korea.
The native extracellular matrix is continuously remodeled to form complex interconnected network structures that reversibly regulate stem cell behaviors. Both regulation and understanding of its intricate dynamicity can help to modulate numerous cell behaviors. However, neither of these has yet been achieved due to the lack of designing and modeling such complex structures with dynamic controllability.
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