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An ab-initio investigation of novel double halide perovskite Cs2InCoX6 (X= F, Cl, Br) materials with direct band structure and broadband light absorption
TY Tang, XH Zhao, DY Hu, QQ Liang, XN Wei… - Materials Science in …, 2022 - Elsevier
In this paper, the electronic, mechanical and optical properties of Cs 2 InCoX 6 (X= F, Cl, Br)
have been studied by first-principle calculation method. The results show that both Cs 2 …
have been studied by first-principle calculation method. The results show that both Cs 2 …
Electronic structure, elastic and magnetic properties of the binary intermetallics RFe2 (R = Eu, Gd and Tb)
Abstract Laves-phase (C15) binary intermetallics RFe2 (R= Eu, Gd and Tb) are studied
using various potentials in the domain of density functional theory (DFT). These …
using various potentials in the domain of density functional theory (DFT). These …
Electronic structure, magnetic properties and magnetocaloric effect of GdCo2-xNix
The electronic structure, magnetic properties, and magnetocaloric effect of GdCo 2-x Ni x
with x= 0.2, 0.25, and 0.3 were investigated. X-ray diffraction measurements showed that all …
with x= 0.2, 0.25, and 0.3 were investigated. X-ray diffraction measurements showed that all …
Optical and magneto-optical properties of GdxFe(100-x) thin films close to the compensation point
Unlike ferromagnetic materials, ferrimagnetic metals have recently received considerable
attention due to their bulk perpendicular magnetic anisotropy, low net magnetization and …
attention due to their bulk perpendicular magnetic anisotropy, low net magnetization and …
Theoretical study of thermal and magneto‐electronic properties of YbX2 (X = Co and Fe) intermetallic compounds
In this study, we reported the electronic structure, magnetic stability and thermal properties of
the YbCo2 and YbFe2 compounds using the density functional (DFT) full‐potential …
the YbCo2 and YbFe2 compounds using the density functional (DFT) full‐potential …
[HTML][HTML] First-principles study of magnetic, electronic, elastic and thermal properties of GdFe2
The magnetic, electronic, elastic and thermal properties of GdFe 2 have been investigated
under ambient and hydrostatic pressure, in the pressure range 0–100 GPa using the Full …
under ambient and hydrostatic pressure, in the pressure range 0–100 GPa using the Full …
Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X= Fe and Co)
We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX 2 (X=
Fe and Co) using 740 GBq 137 Cs Compton spectrometer. To compare the experimental …
Fe and Co) using 740 GBq 137 Cs Compton spectrometer. To compare the experimental …
Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation
Theoretical study on the ground state proprieties of GdNi intermetallic compound and its
magnetic observable curves, as well as its magneto-caloric effect (MCE) was performed. It …
magnetic observable curves, as well as its magneto-caloric effect (MCE) was performed. It …
Phase stability, electronic, magnetic and elastic properties of Ni2CoZ (Z= Ga, Sn): A first principles study with GGA method and GGA+ U approach
First principles calculations based on density functional theory are used to investigate the
phase stability, electronic, magnetic and elastic properties of ferromagnetic metallic full …
phase stability, electronic, magnetic and elastic properties of ferromagnetic metallic full …
Theoretical insight into the strain effect on the intercalation potential of Li–FePO 4 materials
S Laref, A Laref - RSC Advances, 2015 - pubs.rsc.org
We conducted a theoretical investigation on the relative energetic and magnetic stabilities of
Li–FePO4 using density functional theory combined with an effective approach for the …
Li–FePO4 using density functional theory combined with an effective approach for the …