GdPtBi Heuslerene: mechanical stability, half-metallic, magneto-optic, and thermoelectric properties by DFT

F Hosseinzadeh, A Boochani, SM Elahi… - Philosophical …, 2022 - Taylor & Francis
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 …

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 …

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 …

Effective modelling of the Seebeck coefficient of Fe2VAl

GA Naydenov, PJ Hasnip, VK Lazarov… - Journal of physics …, 2019 - iopscience.iop.org
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 …

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 …

[PDF][PDF] Electronic, Optical, and Thermoelectric Properties of BaFe2-xZnxAs2 (x= 0, 1, 2) orthorhombic Polymorphs: DFT Study

T Niazkar, G Shams, Z Soltani - Journal of Optoelectronical …, 2021 - jopn.marvdasht.iau.ir
Based on the calculations of density functional theoryand Generalized Gradient
approximation (GGA), mechanical, electronic, optical and thermoelectricproperti BaFe2 …