Structural, mechanical, magnetic, electronic, and thermal investigations of Ag2YB (Y = Nd, Sm, Gd) full-Heusler alloys
B Asma, F Belkharroubi, A Ibrahim, B Lamia… - Emergent …, 2021 - Springer
A series of full-Heusler based on rare earth Ag2YB (Y= Nd, Sm, Gd) are studied by
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z= Si and Ge)
Computer simulations within the framework of density functional theory are performed to
study the electronic, dynamic, elastic, magnetic, and thermoelectric properties of a newly …
study the electronic, dynamic, elastic, magnetic, and thermoelectric properties of a newly …
Heusler‐Based Cylindrical Micro‐and Nanowires
M Hennel, M Varga, L Frolova… - … status solidi (a), 2022 - Wiley Online Library
Wire‐shaped materials are ideal form for rapid, cheap, and scalable production and
application. Herein, the most recent results on Heusler‐based cylindrical micro‐and …
application. Herein, the most recent results on Heusler‐based cylindrical micro‐and …
Physical characteristics of X2NaMoBr6 (X= K, Rb): a DFT study
The full-potential linearized-augmented plane-wave (FP-LAPW) method based on density
functional theory (DFT) was used to investigate the structural, elastic, electronic, optical …
functional theory (DFT) was used to investigate the structural, elastic, electronic, optical …
Electromagnetic, optical and thermoelectric response of full-Heusler Co2VGe alloy for spintronic and thermoelectric applications: DFT+ SOC study
Heusler alloys exhibit diverse functional properties originating from magneto-elastic
coupling and attracted significant interest in spintronic applications. We use the full-potential …
coupling and attracted significant interest in spintronic applications. We use the full-potential …
Robust stability, half-metallic ferrimagnetism and thermoelectric properties of new quaternary Heusler material: A first principles approach
Like full or half-heusler materials, equiatomic quaternary Heuslers (EQH) also display
various intriguing physical properties. We carried out the strict and rigorous density …
various intriguing physical properties. We carried out the strict and rigorous density …
Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
Density‐functional theory based, first‐principles spin‐polarized calculations of the structural,
electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X= Cl, Br) are …
electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X= Cl, Br) are …
Exploring thermoelectric properties and stability of half-Heusler PtXSn (X= Zr, Hf) semiconductors: a first principle investigation
Half-Heuslers (HH) have found ever-increasing popularity as high temperature
thermoelectric (TE) materials. In this paper, the electron and phonon transport equations are …
thermoelectric (TE) materials. In this paper, the electron and phonon transport equations are …
Computational determination of structural, electronic, magnetic and thermodynamic properties of Co2HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds for spintronic …
HS Cherif, A Bentouaf, ZA Bouyakoub… - Journal of Alloys and …, 2022 - Elsevier
The aim of this paper is the prediction of the structural, electro-magnetic and mechanical
properties of the Co 2 HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds using a full …
properties of the Co 2 HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds using a full …
Novel half-metallic L21 structured full-Heusler compound for promising spintronic applications: A DFT-based computer simulation
In search for novel magnetic materials, we discuss the computer estimation of structural,
electronic, mechanical, thermodynamic and magnetic properties of yet-to-be synthesized but …
electronic, mechanical, thermodynamic and magnetic properties of yet-to-be synthesized but …