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GdPtBi Heuslerene: mechanical stability, half-metallic, magneto-optic, and thermoelectric properties by DFT
ABSTRACT Based on Density Functional Theory (DFT) calculations, the mechanical stability
from a static and dynamic point of view and the electronic, magneto-optic, and thermoelectric …
from a static and dynamic point of view and the electronic, magneto-optic, and thermoelectric …
Thermoelectric properties of single-phase full-Heusler alloy Fe2TiSi films with D3-type disordering
Y Shimanuki, K Kudo, T Ishibe, A Masago… - Journal of Applied …, 2020 - pubs.aip.org
Fe 2 TiSi has been expected to be one of the high-performance thermoelectric full-Heusler
alloys. Here, we experimentally clarify the room-temperature Seebeck coefficient ( S) and …
alloys. Here, we experimentally clarify the room-temperature Seebeck coefficient ( S) and …
Thermoelectric properties of composition-controlled Fe2TiSi-based full-Heusler thin films
Y Kurosaki, S Yabuuchi, A Nishide… - Applied Physics …, 2022 - iopscience.iop.org
Abstract Fe 2 TiSi full-Heusler thin films were synthesized with a homogeneous single-
phase structure and the composition was controlled in a wide range by deposition …
phase structure and the composition was controlled in a wide range by deposition …
Effective modelling of the Seebeck coefficient of Fe2VAl
Previous first-principles calculations have failed to reproduce many of the key thermoelectric
features of Fe 2 VAl, eg the maximum values of the Seebeck coefficient S and its asymmetry …
features of Fe 2 VAl, eg the maximum values of the Seebeck coefficient S and its asymmetry …
First-principles study of Fe2VAl and Fe2VAl/Si thin films and their magnetic properties
K Kobayashi, H Takaki, M Shimono… - Japanese Journal of …, 2022 - iopscience.iop.org
We studied thin films of Fe 2 VAl, Fe 2 VAl/Si, and a related compound using the total energy
pseudopotential method. The internal atoms in a supercell of the repeated slab model were …
pseudopotential method. The internal atoms in a supercell of the repeated slab model were …
[PDF][PDF] Electronic, Optical, and Thermoelectric Properties of BaFe2-xZnxAs2 (x= 0, 1, 2) orthorhombic Polymorphs: DFT Study
Based on the calculations of density functional theoryand Generalized Gradient
approximation (GGA), mechanical, electronic, optical and thermoelectricproperti BaFe2 …
approximation (GGA), mechanical, electronic, optical and thermoelectricproperti BaFe2 …