Novel Graphene-like Co2VAl (111): Case Study on Magnetoelectronic and Optical Properties by First-Principles Calculations
A Boochani, B Nowrozi, J Khodadadi… - The Journal of …, 2017 - ACS Publications
The electronic, magnetic, and optical properties of the Co2VAl (111) graphene-like (GL)
monolayer as well as the (101) and (011) terminations have been calculated on the basis of …
monolayer as well as the (101) and (011) terminations have been calculated on the basis of …
A comparative study of different exchange-correlation functionals in understanding structural, electronic and thermoelectric properties of Fe2VAl and Fe2TiSn …
SS Shastri, SK Pandey - Computational Materials Science, 2018 - Elsevier
Abstract Fe 2 VAl and Fe 2 TiSn are full Heusler compounds with non-magnetic ground
state. The two compounds are good thermoelectric materials. PBE and LDA (PW92) are the …
state. The two compounds are good thermoelectric materials. PBE and LDA (PW92) are the …
Thermoelectric properties of Fe2VAl in the temperature range 300–800 K: A combined experimental and theoretical study
Here, the experimentally observed thermoelectric (TE) properties of Fe 2 VAl are understood
through electronic structure calculations in the temperature range of 300–800 K. The …
through electronic structure calculations in the temperature range of 300–800 K. The …
Thermodynamic stability, half-metallic and optical properties of Sc2CoSi [001] Film: a DFT study
M Amiri, H Akbari, B Nedaee-shakarab… - Communications in …, 2019 - iopscience.iop.org
The electronic and optical characteristics of the Sc 2 CoSi Heusler with L21 structure and
also the surface effect on electronic and optical properties, and the films thermodynamic …
also the surface effect on electronic and optical properties, and the films thermodynamic …
Thermoelectric properties of FeVAl at high temperature region: A combined experimental and theoretical study
Heusler type compounds have long been recognized as potential thermoelectric (TE)
materials. Here, the experimentally observed TE properties of Fe $ _ {2} $ VAl are …
materials. Here, the experimentally observed TE properties of Fe $ _ {2} $ VAl are …
Thermodynamic stability, half-metallic and optical nature of graphene-like Mn2 ZrZ (Z = Ge, Si): Ab initio study
A Anjami, A Boochani, SM Elahi… - International Journal of …, 2018 - World Scientific
Half-metallic, optical and thermodynamic phase diagrams of two-dimensional Mn2Zr Z (Z=
Ge, Si) have been calculated by density functional theory (DFT) framework with full-potential …
Ge, Si) have been calculated by density functional theory (DFT) framework with full-potential …
The MN effect on Electronic, optical and thermoelectric properties of Ti2N graphene: by DFT
MR Khodarahmi, A Boochani, H Khosravi - Chinese journal of physics, 2019 - Elsevier
Electronic, optical and thermoelectric parameters of the Ti 2 N: Mn graphene sheet have
been calculated by the density functional theory (DFT) framework. Our calculations were …
been calculated by the density functional theory (DFT) framework. Our calculations were …
The band offset barrier and optical properties calculation of Co2VGa/GaAs(001) interfaces: A DFT study
The structural, electronic, optical properties and band offsets of Co2VGa/GaAs (001)
interfaces are discussed within the framework of density functional theory (DFT) using the FP …
interfaces are discussed within the framework of density functional theory (DFT) using the FP …