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Study of the ground-state magnetic ordering, magnetic and optoelectronic properties of (Lenaite) AgFeS2 in its chalcopyrite structure

Journal of magnetism and magnetic materials, 2020-01, Vol.493, p.165730, Article 165730

2020

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Insight into elastic anisotropy, mechanical and dynamical stability, electronic properties, bonding and weak interactions analysis of LuAuSn Half-Heusler

Solid state sciences, 2021-08, Vol.118, p.106677, Article 106677

2021

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Mechanical and dynamical stability, electronic and bonding properties of a new narrow-gap semiconductor YPdAs Half-Heusler: DFT and QTAIM study

Materials science in semiconductor processing, 2024-04, Vol.173, p.108160, Article 108160

2024

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Study of phase transitions and lattice dynamics, elastic and electronic properties, bonding and weak interactions analysis of YCuS2 in P212121, I 4 ‾ 2 d and P 4 ‾ 2 1 m space group structures

The Journal of physics and chemistry of solids, 2022-08, Vol.167, p.110756, Article 110756

2022

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Study of phase transitions and lattice dynamics, elastic and electronic properties, bonding and weak interactions analysis of YCuS2 in P212121, I4‾2d and P4‾21m space group structures

The Journal of physics and chemistry of solids, 2022-08, Vol.167, Article 110756

2022

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First-principles study of mechanical, exchange interactions and the robustness in Co2MnSi full Heusler compounds

Journal of magnetism and magnetic materials, 2017-01, Vol.422, p.13-19

2017

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Computational insights into the structural, mechanical, optical, electronic and magnetic properties of EuTiO3 semiconductor in cubic-perovskite using FP-LAPW method

Materials science in semiconductor processing, 2022-05, Vol.142, p.106455, Article 106455

2022

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Magnetic ground state and pressure effect study on elasticity, electronic and magnetic properties of KUO3: DFT+U, GLLB-SC, mBJ and QTAIM investigations

Solid state sciences, 2019-04, Vol.90, p.56-67

2019

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Elastic anisotropy, electronic and magnetic behaviours of ferromagnetic Europium Niobate EuNbO3 in orthorhombic structure: DFT + U, MFA and QTAIM studies

Philosophical magazine (Abingdon, England), 2020-11, Vol.100 (22), p.2889-2911

2020

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Elastic anisotropy, electronic and magnetic behaviours of ferromagnetic Europium Niobate EuNbO 3 in orthorhombic structure: DFT + U, MFA and QTAIM studies

Philosophical magazine (Abingdon, England), 2020-11, Vol.100 (22), p.2889-2911

2020

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Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

Physica. B, Condensed matter, 2018-02, Vol.530, p.167-176

2018

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DFT + U and QTAIM Studies of Elastic, Magnetic, Bonding, and Optoelectronic Behaviors of RbUO3

Journal of superconductivity and novel magnetism, 2019-12, Vol.32 (12), p.4005-4020

2019

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Structural, Magnetic, and Optoelectronic Properties of CuMnSe2-Chalcopyrite: DFT + U and Hybrid Functional Investigation

Journal of superconductivity and novel magnetism, 2018-06, Vol.31 (6), p.1881-1893

2018

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Structural, Magnetic, and Optoelectronic Properties of CuMnSe{sub 2}-Chalcopyrite: DFT + U and Hybrid Functional Investigation

Journal of superconductivity and novel magnetism, 2018-06, Vol.31 (6)

2018

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Structural stability and electronic behaviors of Co^sub 1-x^Os^sub x^Si and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

Physica. B, Condensed matter, 2018-02, Vol.530, p.167

2018

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Study of magnetic and optoelectronic properties of BaCmO3-Cubic Perovskite after the estimation of Hubbard interaction and Hund's exchange parameters: GW and DFT + U investigations

Optik (Stuttgart), 2018-09, Vol.168, p.196-207

2018

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Pressure effect on mechanical, magnetic and optoelectronic properties of SrCoO3-Perovskite: FP-(L)APW+lo investigation

Chinese journal of physics (Taipei), 2019-06, Vol.59, p.625-640

2019

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First-principles study of mechanical, exchange interactions and the robustness in Co^sub 2^MnSi full Heusler compounds

Journal of magnetism and magnetic materials, 2017-01, Vol.422, p.13

2017

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The Ground-State Properties of a New Full-Heusler Alloy Pd 2 MnPb: DFT+U, QTAIM, and MFA Investigations

Acta physica Polonica, A, 2020-06, Vol.137 (6), p.1101-1109

2020

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Magnetic ground state and optoelectronic properties of GdMg, GdMg2 and GdMg3 investigated by GGA+U calculations

Optik (Stuttgart), 2018-11, Vol.172, p.968-979

2018

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Hydrostatic Pressure Effect on Mechanical Stability and Optoelectronic Properties of MgGeAs2-Chalchopyrite

ICREEC 2019, p.287-294

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Study of the ground-state magnetic ordering, magnetic and optoelectronic properties of (Lenaite) AgFeS2 in its chalcopyrite structure

Insight into elastic anisotropy, mechanical and dynamical stability, electronic properties, bonding and weak interactions analysis of LuAuSn Half-Heusler

Mechanical and dynamical stability, electronic and bonding properties of a new narrow-gap semiconductor YPdAs Half-Heusler: DFT and QTAIM study

Study of phase transitions and lattice dynamics, elastic and electronic properties, bonding and weak interactions analysis of YCuS2 in P212121, I 4 ‾ 2 d and P 4 ‾ 2 1 m space group structures

Study of phase transitions and lattice dynamics, elastic and electronic properties, bonding and weak interactions analysis of YCuS2 in P212121, I4‾2d and P4‾21m space group structures

First-principles study of mechanical, exchange interactions and the robustness in Co2MnSi full Heusler compounds

Computational insights into the structural, mechanical, optical, electronic and magnetic properties of EuTiO3 semiconductor in cubic-perovskite using FP-LAPW method

Magnetic ground state and pressure effect study on elasticity, electronic and magnetic properties of KUO3: DFT+U, GLLB-SC, mBJ and QTAIM investigations

Elastic anisotropy, electronic and magnetic behaviours of ferromagnetic Europium Niobate EuNbO3 in orthorhombic structure: DFT + U, MFA and QTAIM studies

Elastic anisotropy, electronic and magnetic behaviours of ferromagnetic Europium Niobate EuNbO 3 in orthorhombic structure: DFT + U, MFA and QTAIM studies

Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

DFT + U and QTAIM Studies of Elastic, Magnetic, Bonding, and Optoelectronic Behaviors of RbUO3

Structural, Magnetic, and Optoelectronic Properties of CuMnSe2-Chalcopyrite: DFT + U and Hybrid Functional Investigation

Structural, Magnetic, and Optoelectronic Properties of CuMnSe{sub 2}-Chalcopyrite: DFT + U and Hybrid Functional Investigation

Structural stability and electronic behaviors of Co^sub 1-x^Os^sub x^Si and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

Study of magnetic and optoelectronic properties of BaCmO3-Cubic Perovskite after the estimation of Hubbard interaction and Hund's exchange parameters: GW and DFT + U investigations

Pressure effect on mechanical, magnetic and optoelectronic properties of SrCoO3-Perovskite: FP-(L)APW+lo investigation

First-principles study of mechanical, exchange interactions and the robustness in Co^sub 2^MnSi full Heusler compounds

The Ground-State Properties of a New Full-Heusler Alloy Pd 2 MnPb: DFT+U, QTAIM, and MFA Investigations

Magnetic ground state and optoelectronic properties of GdMg, GdMg2 and GdMg3 investigated by GGA+U calculations

Hydrostatic Pressure Effect on Mechanical Stability and Optoelectronic Properties of MgGeAs2-Chalchopyrite

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