Half-metalicity, mechanical, optical, thermodynamic, and thermoelectric properties of full Heusler alloys Co2TiZ (Z = Si; Ge; Sn)

MY Raïâ, R Masrour, M Hamedoun, J Kharbach… - Optical and Quantum …, 2023 - Springer
Abstract We have predicted Co2TiZ (Z= Si; Ge and Sn) full Heusler alloys are being a half-
metallic ferromagnet by the first-principle calculations using FPLAPW based on DFT. The …

Thermodynamic, electronic, magnetic, thermoelectric, and optical properties of full Heuslers compounds Co2TiAl(Ga, In): A First principles study

MY Raïâ, R Masrour, M Hamedoun, J Kharbach… - Applied Physics A, 2023 - Springer
In this study, we investigated the thermodynamic, band structure, density of states, magnetic,
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …

Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + …

MY Raïâ, R Masrour, M Hamedoun, J Kharbach… - Optical and Quantum …, 2023 - Springer
The structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of
the Heusler Co2Fe1− xTixGa are investigated using the full potential linearized augmented …

Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations

MY Raïâ, R Masrour, M Hamedoun, J Kharbach… - … of Superconductivity and …, 2023 - Springer
In this study, we have investigated the structural, electronic, magnetic, elastic, thermoelectric,
and thermal properties of Co2FeGa1− xSix with 0≤ x≤ 1 through the first-principles density …

Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U …

MY Raïâ, R Masrour, M Hamedoun… - Nanoscale and …, 2023 - Taylor & Francis
Both L21 and XA type phases ordering of Ti2FeGe compound were investigated based on
density functional theory. The structural, magnetic, band structure, density of states …

Structural parameters, electronic structure and linear optical functions of LuXCo2Sb2 (X= V, Nb and Ta) double half Heusler alloys

SS Essaoud, A Bouhemadou, ME Ketfi, D Allali… - Physica B: Condensed …, 2023 - Elsevier
Ab initio calculations based on density functional theory were performed to determine the
structural parameters of the Lu XCo 2 Sb 2 (X= V, Nb and Ta) double half Heusler …

Magnetic properties of a ferrimagnetic transverse Ising system on the multilayer kagome-like lattice

H Huang, W Wang, B Li - Chemical Physics, 2024 - Elsevier
Abstract Based on the Trotter-Suzuki formula, the transverse Ising model is proposed to
investigate the magnetic properties of a ferrimagnetic multilayer kagome-like lattice by …

The use of nonlocal corrections and SCAN to compute the electronic, optical and thermoelectric properties of XCuF3 (X= K, Rb)

M Ahmed, A Bakar, MA Tahir, R Nawaz, AA Ibraheem - Optik, 2024 - Elsevier
The current study is the computational investigations of flouroperovskites, KCuF 3 and
RbCuF 3. The structural optimization has been performed and stability is proved by energy …

Theoretical insight into the stability, magneto-electronic and thermoelectric properties of V2MnAs Heusler alloy

I Bourachid, M Caid, Y Rached, D Rached… - Indian Journal of …, 2024 - Springer
Recognized for its precision in investigating physical properties, we employed the full-
potential linearized augmented plane wave (FP-LAPW) method in this study to scrutinize the …

First-principles calculations of electronic, magnetic, mechanical and thermoelectric properties of tetragonal Mn2PtSn-Ferromagnetic phase: Ab initio calculations

Y El Krimi, R Masrour - Modern Physics Letters B, 2024 - World Scientific
We present structural, electronic, magnetic, elastic and transport properties of tetragonal
Mn2PtSn (MPS) bulk material in stannite (ST) phase, we will use a FP-LAPW method based …