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Scopus Author ID: 57641601400

Keywords

DFT, Half Heusler, full Heusler, Thermoelectric, optoelectronic, magnetism, Monte-Carlo

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Works (32)

Optical and transport proprieties of γ-NaBeAs half-Heusler material for green energy harvesting applications

Physica B: Condensed Matter
2025-06 | Journal article
DOI: 10.1016/j.physb.2025.417135
Contributors: Y. Toual; S. Mouchou; B. Fakrach; A. Azouaoui; K. Bouslykhane; R. Masrour; A. Rezzouk; A. Hormatallah; N. Benzakour
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Crossref

First-principles calculations to investigate structural, electronic, magnetic mechanical, and thermal properties of half-Heusler alloys CoYGe (Y = Mn, Fe): using GGA and GGA+U potentials

Journal of the Korean Ceramic Society
2025-01 | Journal article
DOI: 10.1007/s43207-024-00449-y
Contributors: Y. Toual; S. Mouchou; Upasana Rani; A. Azouaoui; A. Hourmatallah; R. Masrour; A. Rezzouk; K. Bouslykhane; N. Benzakour
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Crossref

Electronic and magnetic properties of inverse Heusler Fe2RhSi and Fe2RhGe: Ab initio and Monte Carlo study

International Journal of Modern Physics B
2025-01-13 | Journal article
DOI: 10.1142/S0217979225501206
Contributors: S. Mouchou; Y. Toual; A. Azouaoui; A. Maouhoubi; R. Masrour; A. Rezzouk; K. Bouslykhane; A. Hourmatallah; N. Benzakour
Source: check_circle
Crossref

An examination of the structural, mechanical, dynamic stabilities, and optoelectronic properties of half-Heusler LiInSi for photovoltaic applications

Chemical Physics Letters
2024 | Journal article
DOI: 10.1016/j.cplett.2024.141345
EID:

2-s2.0-85194030333

Part of ISSN: 00092614
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Rezzouk, A.; Bouslykhane, K.; Hourmatallah, A.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
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Preferred source (of 2)‎

Ferrimagnetic half-metal Mn<sub>2</sub>RhSi inverse Heusler for spintronic applications

Materials Chemistry and Physics
2024 | Journal article
DOI: 10.1016/j.matchemphys.2024.129455
EID:

2-s2.0-85193637633

Part of ISSN: 02540584
Contributors: Mouchou, S.; Toual, Y.; Khatiri, M.; Azouaoui, A.; Bouslykhane, K.; Hourmatallah, A.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

Pressure effect on the structural, electronic, elastic, thermodynamic and optical properties of LiZnZ (Z = N, P, and As) Li-based half-Heusler

Phase Transitions
2024 | Journal article
DOI: 10.1080/01411594.2024.2348688
EID:

2-s2.0-85195572053

Part of ISSN: 10290338 01411594
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Hourmatallah, A.; Bouslykhane, K.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

Probing electronic, magnetic and thermal properties of NiMnSb Half-Heusler alloy for spintronics as an environmentally friendly energy resource: A DFT+U and Monte Carlo study

Materials Today Communications
2024 | Journal article
DOI: 10.1016/j.mtcomm.2024.108064
EID:

2-s2.0-85182024468

Part of ISSN: 23524928
Contributors: Toual, Y.; Mouchou, S.; Rani, U.; Azouaoui, A.; Hourmatallah, A.; Masrour, R.; Rezzouk, A.; Bouslykhane, K.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

Study of excitonic effects, 3D-elastic, optoelectronic and thermoelectric properties of new inorganic double perovskites CsKAgSbX<sub>6</sub> (X = Cl, Br) for solar cell applications

Journal of Materials Science
2024 | Journal article
DOI: 10.1007/s10853-024-09687-1
EID:

2-s2.0-85192071756

Part of ISSN: 15734803 00222461
Contributors: Harbi, A.; Aziz, A.; Pingak, R.K.; Toual, Y.; Azouaoui, A.; Moutaabbid, M.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

Superconductivity properties of Pd-Heusler rare earth from ab initio and isotropic Eliashberg function

Physica C: Superconductivity and its Applications
2024 | Journal article
DOI: 10.1016/j.physc.2024.1354517
EID:

2-s2.0-85193033219

Part of ISSN: 09214534
Contributors: Mouchou, S.; Toual, Y.; Azouaoui, A.; Rezzouk, A.; Bouslykhane, K.; Hourmatallah, A.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

Superconductivity properties of the intermetallic antiperovskite MgNi<sub>3</sub>X (X[dbnd]C and N): DFT and isotropic Eliashberg function

Journal of Physics and Chemistry of Solids
2024 | Journal article
DOI: 10.1016/j.jpcs.2024.112257
EID:

2-s2.0-85201017174

Part of ISSN: 18792553 00223697
Contributors: Azouaoui, A.; Mouchou, S.; Toual, Y.; Masrour, R.; Rezzouk, A.; Benzakour, N.; Hourmatallah, A.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

The comparative study of structural, optoelectronic and thermoelectric properties of Li-based half-Heusler alloys via GGA and meta-GGA functionals

Computational Materials Science
2024 | Journal article
DOI: 10.1016/j.commatsci.2024.113191
EID:

2-s2.0-85197459872

Part of ISSN: 09270256
Contributors: Azouaoui, A.; Toual, Y.; Mouchou, S.; Rezzouk, A.; Hourmatallah, A.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

First principles study of thermoelectric performance and efficiency of the ternary half-Heusler semiconductor LiMgAs: using GGA and meta-GGA methods

Indian Journal of Physics
2024-11-30 | Journal article
DOI: 10.1007/s12648-024-03474-z
Contributors: Y. Toual; S. Mouchou; A. Azouaoui; A. Hourmatallah; A. Rezzouk; K. Bouslykhane; N. Benzakour
Source: check_circle
Crossref

First principles study of structural and optoelectronic properties of semiconductor NaBePxN1−x alloys for photovoltaic applications

Computational and Theoretical Chemistry
2024-10 | Journal article
DOI: 10.1016/j.comptc.2024.114845
Contributors: Y. Toual; S. Mouchou; A. Azouaoui; A. Harbi; A. Hourmatallah; K. Bouslykhane; N. Benzakour
Source: check_circle
Crossref
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The study of physical properties of ternary intermetallic MnXGe (X=Al and Ga) alloys: Via DFT and Monte Carlo simulation

Physica B: Condensed Matter
2024-07 | Journal article
DOI: 10.1016/j.physb.2024.415963
Part of ISSN: 0921-4526
Contributors: azouaoui abdelouahid; Y. Toual; S. Mouchou; A. Hourmatallah; N. Benzakour
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

The study of structural, electronic, magnetic and magnetocaloric properties of antiperovskite carbides M<sub>3</sub>AlC (M=Mn and Fe): DFT combined with Monte Carlo simulation

Modern Physics Letters B
2024-03-19 | Journal article
DOI: 10.1142/s0217984924502816
Part of ISSN: 0217-9849
Part of ISSN: 1793-6640
Contributors: azouaoui abdelouahid; S. Mouchou; Y. Toual; N. Benzakour; A. Hourmatallah
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Thermoelectric properties of Heusler ferrimagnetic semiconductors CrVXAl (X = Ti, Zr or Hf): A theoretical investigation using r<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si106.svg" display="inline" id="d1e1707"><mml:msup><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math>SCAN functional

Computational Materials Science
2024-02 | Journal article
DOI: 10.1016/j.commatsci.2024.112840
Part of ISSN: 0927-0256
Contributors: SLIMANE MOUCHOU; Y. Toual; A. Azouaoui; A. Maouhoubi; R. Masrour; A. Rezzouk; K. Bouslykhane; N. Benzakour; A. Hourmatallah
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Structural, electronic and magnetic properties of the CuFeO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline" id="d1e1420"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> multiferroic compound

Arabian Journal of Chemistry
2024-01 | Journal article
DOI: 10.1016/j.arabjc.2023.105437
Part of ISSN: 1878-5352
Contributors: Abdelilah Maouhoubi; L. Ouzaroual; Y. Toual; S. Mouchou; F. Mezzat; A. Azouaoui; H. Ez-Zahraouy; A. Hourmatallah; K. Bouslykhane; N. Benzakour
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

DFT+U investigations and Monte Carlo simulations on the structural, mechanical, electronic and magnetic properties of the half-Heusler alloy CoMnSe for spintronics applications

Physica B: Condensed Matter
2023 | Journal article
DOI: 10.1016/j.physb.2023.415344
EID:

2-s2.0-85172869734

Part of ISSN: 09214526
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Hourmatallah, A.; Masrour, R.; Rezzouk, A.; Bouslykhane, K.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

First-principles calculations to investigate structural, electronic, magnetic, mechanical and thermodynamic properties of Half-Heusler alloy CoMnTe: Using GGA and GGA+U methods

Materials Chemistry and Physics
2023 | Journal article
DOI: 10.1016/j.matchemphys.2023.128115
EID:

2-s2.0-85164296000

Part of ISSN: 02540584
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Harbi, A.; Moutaabbid, M.; Hourmatallah, A.; Bouslykhane, K.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

Spin and Temperature Effects on the Electronic and Thermoelectric Response of LiCrZ (Z = Sb, Bi) Li-Based Half-Heusler Ferromagnetic

Journal of Superconductivity and Novel Magnetism
2023 | Journal article
DOI: 10.1007/s10948-023-06582-9
EID:

2-s2.0-85160634029

Part of ISSN: 15571947 15571939
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Harbi, A.; Moutaabbid, M.; Hourmatallah, A.; Benzakour, N.; Bouslykhane, K.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

Study of thermoelectric, electronic, thermo-elastic and thermodynamic properties of LiYN (Y = Mg and Ca) half Heusler semiconductors at high-temperature

Chemical Physics
2023 | Journal article
DOI: 10.1016/j.chemphys.2023.111967
EID:

2-s2.0-85160520497

Part of ISSN: 03010104
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Maouhoubi, A.; Hourmatallah, A.; Benzakour, N.; Bouslykhane, K.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

Temperature dependence of the mechanical properties of Heusler Fe<sub>2</sub>TiSi and Fe<sub>2</sub>TiSn using the Quasi-Harmonic Approximation

Computational Condensed Matter
2023 | Journal article
DOI: 10.1016/j.cocom.2023.e00852
EID:

2-s2.0-85174451900

Part of ISSN: 23522143
Contributors: Mouchou, S.; Toual, Y.; Azouaoui, A.; Bouslykhane, K.; Benzakour, N.; Hourmatallah, A.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

Temperature dependence of thermodynamic and mechanical properties of Fe<sub>2</sub>RhSi and Fe<sub>2</sub>RhGe: An ab-initio investigation

Solid State Communications
2023 | Journal article
DOI: 10.1016/j.ssc.2023.115374
EID:

2-s2.0-85175077963

Part of ISSN: 00381098
Contributors: Mouchou, S.; Toual, Y.; Azouaoui, A.; Maouhoubi, A.; Masrour, R.; Rezzouk, A.; Bouslykhane, K.; Benzakour, N.; Hourmatallah, A.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier

The thermal and mechanical properties of Li-based Half Heusler alloys LiAlZ(Z = Si, Ge) using Quasi-Harmonic Approach

Computational Condensed Matter
2023 | Journal article
DOI: 10.1016/j.cocom.2023.e00794
EID:

2-s2.0-85148095356

Part of ISSN: 23522143
Contributors: Toual, Y.; Mouchou, S.; Azouaoui, A.; Maouhoubi, A.; Hourmatallah, A.; Bouslykhane, K.; Benzakour, N.
Source: Self-asserted source
Y. Toual via Scopus - Elsevier
grade
Preferred source (of 2)‎

Thermoelectric, optoelectronic properties and dynamical stability of Lithium Carbogallium LiGaC half-Heusler semiconductor under pressures

International Journal of Modern Physics B
2023-09-07 | Journal article
DOI: 10.1142/s0217979224503193
Part of ISSN: 0217-9792
Part of ISSN: 1793-6578
Contributors: Y. Toual; S. Mouchou; A. Azouaoui; A. Harbi; M. Moutaabbid; A. Hourmatallah; N. Benzakour; K. Bouslykhane
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 3)‎

Optoelectronic and thermoelectric properties of LiCuM (M=S, Se and Te) half-Heuslers: insights first principle calculations

Physica Scripta
2023-09-01 | Journal article
DOI: 10.1088/1402-4896/aceac2
Part of ISSN: 0031-8949
Part of ISSN: 1402-4896
Contributors: azouaoui abdelouahid; A Harbi; Y Toual; SLIMANE MOUCHOU; M Moutaabbid; A Hourmatallah; N Benzakour; K Bouslykhane
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Theoretical study of electronic, thermoelectric and optical properties of quaternary Heusler alloys FeRuTiSi and FeRuTiGe

Solid State Communications
2023-08 | Journal article
DOI: 10.1016/j.ssc.2023.115191
Part of ISSN: 0038-1098
Contributors: SLIMANE MOUCHOU; Y. Toual; azouaoui abdelouahid; K. Bouslykhane; N. Benzakour; A. Hourmatallah
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Synthesis, Characterization, and Magnetocaloric Properties of Double Perovskite BaSrNiMoO6 for Magnetic Refrigeration Applications

Journal of Superconductivity and Novel Magnetism
2023-04-13 | Journal article
DOI: 10.1007/s10948-023-06546-z
Part of ISSN: 1557-1939
Part of ISSN: 1557-1947
Contributors: amine harbi; A. Azouaoui; Y. Toual; A. Hourmatallah; M. Moutaabbid
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

The effect of temperature on electronic, elastic and thermodynamic properties of Co2MnX ( X = Si and Ge )

Physica B: Condensed Matter
2023-02 | Journal article
DOI: 10.1016/j.physb.2023.414751
Part of ISSN: 0921-4526
Contributors: SLIMANE MOUCHOU; Y. Toual; A. Azouaoui; K. Bouslykhane; N. Benzakour; A. Hourmatallah
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Ni Substitution Effect on the Structural, Magnetic, Electronic, Elastic, Thermodynamic, Vibrational and Thermoelectric Properties of Co2-xNixMnSb(x=0,1,2) Ferromagnetic Heusler Alloys

Journal of Superconductivity and Novel Magnetism
2022-07-15 | Journal article
DOI: 10.1007/s10948-022-06346-x
Part of ISSN: 1557-1939
Part of ISSN: 1557-1947
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 3)‎

First Principle Calculations and Monte Carlo Simulations Investigation of Structural, Electronic, Magnetic, Elastic and Thermoelectric Properties of Antiperovskites Mn3ZnX (X=C,N)

Journal of Superconductivity and Novel Magnetism
2022-04-29 | Journal article
DOI: 10.1007/s10948-022-06229-1
Part of ISSN: 1557-1939
Part of ISSN: 1557-1947
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 3)‎

First principles calculations of structural, electronic, elastic and thermodynamic properties of ZnNi3X (X = N and C)

Computational Condensed Matter
2022-03 | Journal article
DOI: 10.1016/j.cocom.2022.e00676
Part of ISSN: 2352-2143
Source: Self-asserted source
Y. Toual
grade
Preferred source (of 2)‎

Peer review (2 reviews for 1 publication/grant)

Review activity for Computational and theoretical chemistry. (2)
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