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RESEARCH PAPER · Journal of Superconductivity and Novel Magnetism · 2019

Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4

Loubna Salik, Abdelmadjid Bouhemadou, Kaouthar Boudiaf, Fatma Saad Saoud, Saad Bin-Omran, R. Khenata, Yarub Al-Douri, A.H. Reshak

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Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4OriginalIndium segregation to the selvedge of In4Se3 (001)11Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)34Structural, electronic, optoelectronic and transport properties of LuZnCuAs2 compound: First principle calculations under DFT29Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework36Calculated magnetic exchange interactions in brownmillerite Ca2Fe2O521Electronic and magnetic properties of X-doped (X=V, Cr, Mn, and Fe) tellurene for the 2D spintronic device: Insights from the first-principles calculations11First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys90Study of irradiation temperature effect on change of structural, optical, and strength properties of BeO ceramics when irradiated with Ar8+ and Xe22 heavy ions3First principle calculations of structural, elastic, electronic and optical properties of cubic Cd1--Zn Hg Te triangular quaternary alloys and their compounds4High Thermopower and Optical Properties of A2MoS4 (A = K, Rb, Cs) and Cs2MoSe42Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase41An insight into the electronic, optical and transport properties of promising Zintl-phase BaMg2P257First-principles calculations of optoelectronic and thermoelectric properties of HgGa2S4 chalcopyrite under pressure effect6Density functional theory studies of structural, electronic and optical properties of cubic 3d-transition metal nitrides22Estimation and association of structural, elastic and magnetic properties of magnesium-nickel-ferrite nanoparticles annealed at different temperatures26Selective synthesis of Ni12P5 and Ni2P nanoparticles: Electronic structures, magnetic and optical properties19Electronic structure and magnetic properties of the perovskites SrTMO3 (TM = Mn, Fe, Co, Tc, Ru, Rh, Re, Os and Ir)37First-principles calculations to investigate ultra-wide bandgap semiconductor behavior of NaMgF3 fluoro-perovskite with external static isotropic pressure and its impact on optical properties60Electronic and magnetic properties of MAX phase Cr2SiC with GGA+U approximation11Ground state electronic structure, optical and thermoelectric response of Zintl phase MgAl2X2 (X= C, Sb) for renewable energy applications37Study on quaternary diamond-like Li2CaGeO4 properties for optoelectronic applications17Photocatalytic and tunable optical absorption properties of sandwich-like p-n type LaBO3/KNbO3 (B = Al, Ga) heterostructures1Structural investigation of Cu doped calcium ferrite (Ca1-xCuxFe2O4; x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials prepared by co-precipitation method38Structural, elastic, electronic and optical properties of the newly synthesized selenides Tl2CdXSe4 (X = Ge, Sn)11First principle study of opto-electronic and thermoelectric properties of Zintl Phase XIn2Z2 (X = Ca, Sr and Z = As, Sb)30Investigation of the Structural, Elastic, Electronic, and Optical Properties of Half-Heusler CaMgZ (Z = C, Si, Ge, Sn, Pb) Compounds150Synthesis, characterization, elastic, and electro-magnetic properties of MFe2O4 ferrites (M = Co2+, Ni2+, Cu2+, Mg2+, and Zn2+) via sucrose auto-combustion28Ab initio investigation of electronic and optical properties of three quaternary types: CuMn2InSe4, CuMn2InTe4 and CuNi2InTe47A computational insight of the lead‐free double perovskites Rb 2 AgSbCl 6 and Rb 2 AgSbBr 6 for optoelectronic and thermoelectric applications47An Ab Initio Analysis of Structural, optical, Electronic, and Thermal Properties of Cubic SrSnO3 using Wein2k1First-principles calculations to investigate physical properties of three magnetic sub lattice CaCu3Mn4-xIrxO12 (x = 0, 2 and 4) system via symmetry evaluation10Structure, magnetic, opto-electronic and thermoelectric properties of A3In2As4 and A5In2As6 (A = Sr and Eu) Zintl phase compounds26Effects of stacking periodicity on the structural, electronic, optical and thermoelectric properties of GaSb/InSb superlattices48First principles calculation to investigate the effect of Mn substitution on Cu site in CeCu 3− x Mn x V 4 O 12 ( x = 0, 1, 2 and 3) system16A comprehensive correlated analysis of Ra-Doped (ZnO2, ZnO) for optoelectronic applications: a first-principle study2Investigating Electronic, Optical, Thermodynamic, and Thermoelectric Properties of SrO and SrO2 Phases: A Density Functional Theory Approach20Eu based layered EuFAgX (X = S, Se and Te) magnetic semiconductors for optoelectronic and thermoelectric applications3Enhancement in the optoelectronic and thermoelectric properties of the NaASb (A= Ca, Sr and Ba) Sodium Antimonides via switching from P4/nmm to P62 m symmetry6Photovoltaic properties of halide perovskites for solar cell application with efficiency greater than 18%19Structure, Opto-electronic and Thermoelectric Properties of Tetra One Type Structured Compounds AFMgY (A = Ca–Ba and Y = P, As) for Solar Cell and Thermoelectric Applications3A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies22Crystal Stability, Chemical Bonding, Optical and Thermoelectric Properties of LaAgZnX2 (X = P, As) Through First Principles Study11Structural, Opto-Electronic and Magneto-Elastic Properties of Tetra One Type Layered EuCuFS/Se Magnetic Semiconductor for Diverse Applications: A First-Principles Study8First-principles calculation to investigate structural and opto-electronic properties of transition base halide perovskite oxides for solar cell applications19First-principles calculation to investigate structural, electronic, optical, and thermodynamics properties of perovskite KXO3 (K Ta and Zn) alloys for photovoltaic and smart window applications47Advancing thermoelectric potential: strontium telluride under compression strain analyzed with HSE hybrid functional and Wannier interpolation6Physical studies of spintronics-based Heusler alloys63Structural, Electronic, and Transport Properties of ATcO3 (A = Ag, Au, Cd): A First-Principles Study1Advanced study of the electronic and thermoelectric properties of AEMSe compounds under compression and tensile strain4Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach2CuMg2GaS4: a novel photocatalyst with promising properties2First principles insight of Cu2CdMSe4 (M = Zr, Hf) quaternary chalcogenides as eco-friendly materials for optoelectronic and photovoltaic applications9Study of optoelectronic and transport properties of SrCd2X2 (X = P, As, Sb) zintl-phase for renewable energy applications8Photovoltaic Properties of Lead Free TlBi Based Halide Perovskites for Solar Cell Application1Optoelectronic properties and solar cell performance of lead free halide perovskites for energy harvesting application4Comprehensive and comparative density functional theory based study of LiZnZ (Z = Sb, Bi) compounds via GGA, WC and mBJ schemes1Structural and optoelectronic properties of Ba3F2ASe3 (A = Zn and Cd) barium fluoro-selenides for energy storage application: In accordance with the Shockley–Queisser limit0First-principles investigation of the elastic, thermodynamic, and thermoelectric properties of NaAlSn2DFT investigation of mechanical stability, optical response and high-temperature thermoelectric efficiency in cubic Cu 2 Se0Investigation of the electronic, optical and thermoelectric properties of MgA2B4 (A = Sc, Y; B = S, Se) compounds by using density functional theory under strain effect0First-principles insights into LiXYSn (X = La, Lu; Y = Ni, Pd) compounds: promising narrow band gap semiconductors0First-principles insights into LiZrPtZ (Z = Al, Ga) quaternary Heusler semiconductors for high-temperature thermoelectric applications0

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  2. Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)

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  3. Structural, electronic, optoelectronic and transport properties of LuZnCuAs2 compound: First principle calculations under DFT

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  4. Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework

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  5. Calculated magnetic exchange interactions in brownmillerite Ca2Fe2O5

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  6. Electronic and magnetic properties of X-doped (X=V, Cr, Mn, and Fe) tellurene for the 2D spintronic device: Insights from the first-principles calculations

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  8. Study of irradiation temperature effect on change of structural, optical, and strength properties of BeO ceramics when irradiated with Ar8+ and Xe22 heavy ions

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  9. First principle calculations of structural, elastic, electronic and optical properties of cubic Cd1--Zn Hg Te triangular quaternary alloys and their compounds

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  10. High Thermopower and Optical Properties of A2MoS4 (A = K, Rb, Cs) and Cs2MoSe4

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  18. First-principles calculations to investigate ultra-wide bandgap semiconductor behavior of NaMgF3 fluoro-perovskite with external static isotropic pressure and its impact on optical properties

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  19. Electronic and magnetic properties of MAX phase Cr2SiC with GGA+U approximation

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  20. Ground state electronic structure, optical and thermoelectric response of Zintl phase MgAl2X2 (X= C, Sb) for renewable energy applications

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