Les Publications:
N° | Intitulé | Type | Lien Revue | Article | Inter/National |
01. | Predictive study of electronic properties of silicon–carbon alloys | Article | Materials Science and Engineering: B | https://doi.org/10.1016/j.mseb.2005.05.011 | International |
02 | Optical properties of BP, BAs and BSb compounds under hydrostatic pressure | Article | Physica B | https://doi.org/10.1016/j.physb.2005.06.018 | International |
03 | Full-relativistic calculation of electronic structure of Zr2AlC and Zr2AlN | Article | Solid State Communications | https://doi.org/10.1016/j.ssc.2006.06.044 | International |
04 | Structural, electronic and energetic properties of silicon carbon alloys | Article | Physica B | https://doi.org/10.1016/j.physb.2006.05.349 | International |
05 | Full-potential electronic structure of Hf2AlC and Hf2AlN | Article | Acta Materialia | https://doi.org/10.1016/j.actamat.2007.03.011 | International |
06 | FP-LMTO Investigation of the Structural and Electronic Properties of CuxAg1–xI Alloys | Article | Materials Sciences and Application | http://dx.doi.org/10.4236/msa.2011.27103 | International |
07 | Structure and Bonding of Nanolayered Ternary Phosphides | Article | Materials Sciences and Application | http://dx.doi.org/10.4236/msa.2011.210187 | International |
08 | Structural and electronic properties of the Laves phase based on rare earth type BaM2 (M = Rh, Pd, Pt) | Article | Results in Physics | https://doi.org/10.1016/j.rinp.2012.06.001 | International |
09 | First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe | Article | Journal of Superconductivity and Novel Magnetis | https://doi.org/10.1007/s10948-013-2401-3 | International |
10 | Ab initio study of the structural, electronic, elastic and thermal properties of RMn2Ge2 (R = Ca, Nd and Y) intermetallic compounds | Article | Journal of Alloys and Compounds | https://doi.org/10.1016/j.jallcom.2014.07.146 | International |
11 | First-principles study of structural, electronic, elastic and thermal properties of intermetallic ternary compounds (RMn2Si2: R=Ce and Nd) | Article |
Materials Science in Semiconductor Processing |
https://doi.org/10.1016/j.mssp.2015.04.004 | International |
12 | First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi and Fe2MnSi0.5Al0.5 |
Article | Journal of Magnetism and Magnetic Materials | https://doi.org/10.1016/j.jmmm.2014.10.094 | International |
13 | Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe2VX (X = Al, Ga) |
Article | International Journal of Modern Physics B | https://doi.org/10.1142/S021797921550229X | International |
14 | First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential |
Article | Journal of Electronic Materials | https://doi.org/10.1007/s11664-016-4488-3 | International |
15 | First-Principles Calculations of Structural, Electronic, Magnetic and Elastic Properties of Heusler Alloys Ru2CoZ (Z = Si, Ge and Sn) |
Article | SPIN | https://doi.org/10.1142/S2010324718500091 | International |
16 | Novel Theoretical Prediction of Structural Properties, Ferromagnetic Ordering, and Electronic Structure of Fe2PbC MAX Phase |
Article | Journal of Superconductivity and Novel Magnetism | https://doi.org/10.1007/s10948-017-4506-6 | International |
17 | A Novel Theoretical Study of Elastic and Electronic Properties of M2CdC (M = Zr, Hf, and Ta) MAX Phases |
Article | ACTA PHYSICA POLONICA A | https://doi.org/10.12693/APhysPolA.133.7 | International |
18 | The Preference of the Ferromagnetic Ordering for the Novel Heusler Rh2MnTi Compound |
Article | Journal of Superconductivity and Novel Magnetism | https://doi.org/10.1007/s10948-018-4837-y | International |
19 | Insight view of mechanical, electronic and thermodynamic properties of the novel intermetallic REPt4In4(RE=Eu, Gd, Tb,Dy, Ho) compounds via ab initio calculations |
Article | Bulletin of Materials Science | https://doi.org/10.1007/s12034-020-02095-6 | International |
20 | Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy |
Article | ACTA PHYSICA POLONICA A | https://doi.org/10.12693/APhysPolA.136.454 | International |
21 | First-principles calculations of the structural, electronic, mechanical and thermodynamic properties of MAX phase Mon+1GeCn(n = 1–3) compounds |
Article | Materials Today Communications | https://doi.org/10.1016/j.mtcomm.2020.101420 | International |
22 |
First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds |
Article | Scientific reports | https://doi.org/10.1038/s41598-021-89042-5 | International |
Equipe N°02 | |||||
N° | Intitulé | Type | Article | Lien Revue | Inter/National |
01 | High pressure and temperature dependence of the structural, electronic, thermal and transport properties of U 3 Si 2 : computational insights | Article | physica status solidi (b) | International | |
02 | DFT study on the crystal structure, optoelectronic, and thermoelectric properties of lead-free inorganic A2PdBr6 (A= K, Rb, and Cs) perovskites | Article | Materials Today Communications | https://www.sciencedirect.com/science/article/abs/pii/S235249282101045X | International |
03 | Structural, optoelectronic, optical coating and thermoelectric properties of the chalcogenides type Kesterite Ag2CdSnX4 (with X= S, Se): A computational insight | Article | Materials Science in Semiconductor Processing | https://www.sciencedirect.com/science/article/abs/pii/S1369800121003772 | International |
04 | Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni2Mn (Ge, Sn) and Mn2NiGe | Article | Zeitschrift für Naturforschung | https://www.degruyter.com/document/doi/10.1515/zna-2020-0329/html | International |
05 | A comparative study of structural, thermal, and optoelectronic properties between zircon and scheelite type structures in SrMoO4 compound: An ab-initio study | Article | Optik | https://www.sciencedirect.com/science/article/abs/pii/S0030402621004307 | International |
06 | Structural, Optoelectronic and Thermodynamic Characteristic of Orthorhombic SnZrCH3 (CH= S, Se) Compounds: Insights from DFT computations | Article | Materials Today Communications | https://www.sciencedirect.com/science/article/abs/pii/S2352492821004190 | International |
07 | Electronic, optical, and thermoelectric properties of perovskite variants A2BX6: Insight and design via first‐principles calculations | Article | International Journal of Energy Research | https://onlinelibrary.wiley.com/doi/abs/10.1002/er.6118 | International |
08 | DFT-based computer simulation of the physical properties of transparent conducting oxide of delafossite-type: AgInO2 and AgYO2 | Article | Physica B: Condensed Matter | https://www.sciencedirect.com/science/article/abs/pii/S0921452620305792 | International |
09 | Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulation | Article | Computational Condensed Matter | https://www.sciencedirect.com/science/article/abs/pii/S2352214320300526 | International |
10 | Computational insights into the electronic structure and magnetic properties of rhombohedral type half-metal GdMnO3 with multiple Dirac-like band crossings | Article | Frontiers in chemistry | https://www.frontiersin.org/articles/10.3389/fchem.2020.00558/full | International |
11 | Electronic Structure and Ferromagnetic Properties of Doped Calcium Sulfide CaTMxS (TM V, Cr and Co) | Article | Spin | https://www.worldscientific.com/doi/abs/10.1142/S2010324720500137 | International |
12 | Understanding the thermodynamic and magnetic properties, remarkable multiple Dirac-cones, and fully spin-polarization in a new half-metal TbNiO3 with R3¯ c phase via first-principles | Article | Journal of Magnetism and Magnetic Materials | https://www.sciencedirect.com/science/article/abs/pii/S0304885319313241 | International |
13 | Structural and physical properties of intermetallic compounds Re3Pd2Sn2,(Re= Yb, Eu) | Article | Computational Condensed Matter | https://www.sciencedirect.com/science/article/abs/pii/S2352214319302680 | International |
14 | Electronic, magnetic, and thermodynamic properties of rhombohedral Dysprosium Manganite and discussions of effects of uniform strain, spin-orbit coupling, hole and electron doping on its electronic structures | Article | Journal of Solid State Chemistry | https://www.sciencedirect.com/science/article/abs/pii/S0022459619302592 | International |
15 | New R3–C type half-metal MnBO3 with remarkable multiple Dirac-like band crossings: Effects of uniform strain, vacancies, spin–orbit coupling, and hole and electron doping on its electronic structures | Article | Journal of Alloys and Compounds | https://www.sciencedirect.com/science/article/abs/pii/S0925838819319991 | International |
16 | DFT-Based Study on Electronic, Magnetic, and Thermodynamic Properties of HoMnO3: A Half-Metallic Material with Nearly Linear Band Crosses | Article | Spin | https://www.worldscientific.com/doi/abs/10.1142/S2010324719500176 | International |
17 | Perovskite phase AgCuF3: multiple Dirac cones, 100% spin polarization and its thermodynamic properties | Article | Acta Cryst | https://scripts.iucr.org/cgi-bin/paper?um5027 | International |
18 | Structural, electronic and magnetic properties of new full Heusler alloys Rh2CrZ (Z= Al, Ga, In): First-principles calculations | Article | Chinese Journal of Physics | https://www.sciencedirect.com/science/article/abs/pii/S0577907318316964 | International |
19 | Rhombohedral HoNiO3: A new half-metallic material with a high TC, full spin-polarization and multiple Dirac-cones for advanced functional applications | Article | Superlattices and Microstructures | https://www.sciencedirect.com/science/article/abs/pii/S0749603619305610 | International |
20 | Ab initio study of Rhombohedral ErMnO3 as a high Tc half-metal with multiple Dirac cones and promising applications in spintronics | Article | Results in Physics | https://www.sciencedirect.com/science/article/pii/S2211379719309957 | International |
21 | Computational investigations of the band structure, and thermodynamic and optical features of thorium-based oxide ThGeO4 using the full-potential linearized augmented plane-wave plus local orbital approach | Article | Journal of Physics and Chemistry of Solids | https://www.sciencedirect.com/science/article/abs/pii/S0022369717305103 | International |
22 | Structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the quaternary Heusler compound FeCrRuSi: A first-principles study | Article | Scientific reports | https://www.nature.com/articles/s41598-017-16324-2 | International |
23 | Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO4, ZrGeO4 and HfSiO4 Compounds | Article | Journal of Electronic Materials | https://link.springer.com/article/10.1007/s11664-016-4767-z | International |
24 | An ab initio study of the structural, elastic, electronic, optical properties and phonons of the double perovskite oxides Sr2AlXO6 (X= Ta, Nb, V) | Article | Materials Science in Semiconductor Processing | https://www.sciencedirect.com/science/article/abs/pii/S1369800115302055 | International |
25 | Elastic, Electronic, Optical and Thermal Properties of Na2Po: An Ab Initio Study | Article | Journal of Electronic Materials | https://link.springer.com/article/10.1007/s11664-015-4119-4 | International |
26 | First principles study of Mg2X (X= Si, Ge, Sn, Pb): Elastic, optoelectronic and thermoelectric properties | Article | Materials Science in Semiconductor Processing | https://www.sciencedirect.com/science/article/abs/pii/S1369800115300329 | International |
27 | Structural, Elastic, Electronic Optical and Thermodynamic Properties of ZnAl 2 S4 | Article | International Journal of Thermophysics | https://link.springer.com/article/10.1007/s10765-015-1941-0 | International |
28 | Chalcogenides-based quantum dots: Optical investigation using first-principles calculations | Article | Materials Science in Semiconductor Processing | https://www.sciencedirect.com/science/article/abs/pii/S1369800115003303 | International |
29 | First-principles calculations for optical investigations of Pb X (X= S, Te) compounds under quantum dots diameter effect | Article | Canadian Journal of Physics | https://cdnsciencepub.com/doi/abs/10.1139/cjp-2015-0145 | International |
30 | Ab Initio Study of the Structural, Electronic, and Thermal Properties of BaS 1-x Te x Alloy | Article | International Journal of Thermophysics | https://link.springer.com/article/10.1007/s10765-015-1908-1 | International |
31 | Ab Initio Study of the Mechanical, Thermal and Optoelectronic Properties of the Cubic CsBaF3 | Article | Acta Physica Polonica | http://psjd.icm.edu.pl/psjd/element/bwmeta1.element.bwnjournal-article-appv128n107kz | International |
32 | Theoretical characterization of quaternary iridium based hydrides NaAeIrH6 (Ae= Ca, Ba and Sr) | Article | Materials Chemistry and Physics | https://www.sciencedirect.com/science/article/abs/pii/S0254058414006221 | International |
33 | Structural, electronic, optical and thermodynamic properties of cubic REGa3 (RE= Sc or Lu) compounds: Ab initio study | Article | Journal of Alloys and Compounds | https://www.sciencedirect.com/science/article/abs/pii/S0925838814002680 | International |
34 | Structural phase transition, mechanical and optoelectronic properties of the tetragonal NaZnP: Ab-initio study | Article | Computational Materials Science | https://www.sciencedirect.com/science/article/abs/pii/S0927025613007246 | International |
35 | Elastic, optoelectronic, and thermal properties of cubic CSi2N4: an ab initio study | Article | Journal of materials science | https://link.springer.com/article/10.1007/s10853-013-7636-7 | International |
36 | Spin-polarized electronic structure and magnetic properties of Ge1− xTMxTe (TM= Mn, Fe) | Article | Journal of Magnetism and Magnetic Materials | https://www.sciencedirect.com/science/article/abs/pii/S0304885313004691 | International |
37 | Electronic band structure, optical, thermal and bonding properties of XMg2O4 (x= Si, Ge) spinel compounds | Article | International Journal of Modern Physics B | https://www.worldscientific.com/doi/abs/10.1142/S0217979213500823 | International |
38 | DFT-based ab initio study of the electronic and optical properties of cesium based fluoro-perovskite CsMF3 (M= Ca and Sr) | Article | International Journal of Modern Physics B |
https://www.worldscientific.com/doi/abs/10.1142/S0217979212501998 |
International |
39 | Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite (M = Be and Mg) | Article | International Journal of Thermophysics | https://link.springer.com/article/10.1007/s10765-012-1353-3 | International |
40 | Ab initio calculation of ZnSiAs2 and CdSiAs2 semiconductor compounds | Article | Physica B: Condensed Matter | https://www.sciencedirect.com/science/article/abs/pii/S0921452610009579 | International |
41 | First-principles study of structural, electronic and elastic properties under pressure of calcium chalcogenides | Article | Physics Procedia | https://www.sciencedirect.com/science/article/pii/S1875389209001278 | International |
42 | FP-APW+ lo calculations of the electronic and optical properties of alkali metal sulfides under pressure | Article | Journal of Physics: Condensed Matter | https://iopscience.iop.org/article/10.1088/0953-8984/21/9/095404/meta | International |
43 | First principles study of the elastic properties in X2S (X= Li, Na, K and Rb) compounds under pressure effect | Article | Solid State Communications | https://www.sciencedirect.com/science/article/abs/pii/S0038109808002950 | International |
44 | Electronic and optical properties under pressure effect of alkali metal oxides | Article | The European Physical Journal B | https://link.springer.com/article/10.1140/epjb/e2008-00286-6 | International |
Les Communications:
N° | Intitulé | Type | Lien | Date | Lieu | Inter/National |
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