Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Theoretical investigations of structural, mechanical, electronic and optical properties of NaScSi alloy
Ab initio density functional theory is employed to investigate the structural, elastic, electronic
and optical properties of the half-Heusler NaScSi alloy. The lattice constants are very near to …
and optical properties of the half-Heusler NaScSi alloy. The lattice constants are very near to …
Studies on dielectric properties, opto-electrical parameters and electronic polarizability of thermally evaporated amorphous Cd50S50− xSex thin films
AS Hassanien - Journal of Alloys and Compounds, 2016 - Elsevier
The objective of this work is to study the influence of the addition of more Se on dielectric
properties, opto-electrical parameters and electronic polarizability of amorphous …
properties, opto-electrical parameters and electronic polarizability of amorphous …
First principles studies on optoelectronics and transport properties of KSrY (Y= Sb, Bi) for renewable energy application
D Behera, S Al-Qaisi, M Manzoor, R Sharma… - Materials Science and …, 2023 - Elsevier
Currently, producing equipment and goods of all kinds that are economical, energy-efficient,
and ecologically friendly is the main objective. In this study, an attempt has been made to …
and ecologically friendly is the main objective. In this study, an attempt has been made to …
Cobalt-based full Heusler compounds Co2FeZ (Z= Al, Si, and Ga): A comprehensive study of competition between XA and L21 atomic ordering with ab initio …
Y El Krimi, R Masrour - Materials Science and Engineering: B, 2022 - Elsevier
To study the structural properties of Co 2 FeZ (Z= Al, Si, Ga)(CFZ) alloys, we will use the
approximation method GGA-PBE based on the method of plane waves increased by linear …
approximation method GGA-PBE based on the method of plane waves increased by linear …
[HTML][HTML] Machine learning modeling of lattice constants for half-Heusler alloys
Y Zhang, X Xu - AIP Advances, 2020 - pubs.aip.org
The Gaussian process regression model is developed as a machine learning tool to find
statistical correlations among lattice constants, a 0, of half-Heusler compounds, ionic radii …
statistical correlations among lattice constants, a 0, of half-Heusler compounds, ionic radii …
Nowotny-Juza phase KBeX (X= N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generators
P Verma, C Singh, PK Kamlesh, K Kaur… - Journal of Molecular …, 2023 - Springer
In the present research, we have considered KBeX (X= N, P, As, Sb, and Bi) half-Heusler
compounds to study their inherent properties and have used FP-LAPW+ lo scheme with …
compounds to study their inherent properties and have used FP-LAPW+ lo scheme with …
Investigation of inherent properties of XScZ (X= Li, Na, K; Z= C, Si, Ge) half-Heusler compounds: appropriate for photovoltaic and thermoelectric applications
Here, we present the study of XScZ (X= Li, Na and K; Z= C, Si and Ge) half-Heusler
compounds within the density functional theory through full potential linearized augmented …
compounds within the density functional theory through full potential linearized augmented …
First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y= Cu, Ag) Heusler alloys
L Drici, F Belkharroubi, FZ Boufadi, I Ameri, M Ameri… - Emergent …, 2022 - Springer
Our comparative study is carried out on different structural, elastic, electronic, and optical
properties of two new half-Heusler CaCuP and CaAgP compounds by using first-principles …
properties of two new half-Heusler CaCuP and CaAgP compounds by using first-principles …
Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + …
The structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of
the Heusler Co2Fe1− xTixGa are investigated using the full potential linearized augmented …
the Heusler Co2Fe1− xTixGa are investigated using the full potential linearized augmented …