Introduction to Physical Science
Physics I
Physics II
University of Tlemcen (Algeria) – University of Grenoble 1 (France) (joint program)
Tlemcen , Algeria
Sorbonne Paris Nord University
Paris , France
9/1/2005 - 8/31/2006
University of Lille I
Lille,France
9/1/2006 - 12/31/2007
University of Poitiers
Poitiers,France
1/1/2008 - 6/30/2010
University of Namur
Namur,Belgium
7/1/2010 - 5/31/2014
KAUST
Thuwal,Saudi Arabia
6/1/2014 - 7/31/2015
Georgia Institute of Technology
Atlanta,United States of America
8/1/2015 - 8/2/2018
Alfaisal University
Riyadh,Saudi Arabia
10/1/2018 - 8/31/2022
King Faisal University
Al-Ahsa,Saudi Arabia
European Materials Research Society (E-MRS)
Royal Chemical Society of Belgium
American Physical Society
Journal of Physics and Chemistry of Solids 2026-08-01
Emergent topology and superconductivity in hexagonal ScSi2: A first-principles perspective
Advanced Theory and Simulations 2026-03-01
A Combined First-Principles and Machine Learning Framework for XMnH3 (X = Li, Na, K) Perovskite Hydrides: Hydrogen Storage Capacity and Stability Under Extreme Conditions
Advanced Energy and Sustainability Research 2026-02-01
Accelerated Screening of Halide Double Perovskites via Hybrid Density Functional Theory and Machine Learning for Thermoelectric Energy Conversion
Computational Materials Science 2026-01-30
Perovskite electrolytes for dual-ion conduction in SOFCs: A combined DFT–NEB–PCA approach
Nanoscale Advances 2026-01-01
Quantum engineering of GaAs nanoribbons for advanced thermoelectric energy conversion
Renewable Energy 2026-01-01
Engineering Cu2ZnSn1-xGexS4 alloy hole transport layers for high-performance perovskite solar cells: A device simulation study
Physics Open 2025-12-01
Klein-Gordon equation and machine learning-enhanced functional analysis: Insights into diatomic molecular systems via analytical and predictive modeling approaches
Materials Today Sustainability 2025-12-01
Corrigendum to:“Investigating the catalytic and antibacterial behavior of cesium-doped MoO3 nanostructures against methylene blue dye and MDR E. coli with DFT analysis"(Materials Today Sustainability, (2024), 28, C, (101031), (S2589234724003671), 10.1016/j.mtsust.2024.10103))
Journal of Power Sources 2025-11-30
Enhanced oxygen evolution reaction activity of optimized strontium/chitosan-magnesium ferrite heterostructure: Combined experimental and theoretical insights
ACS Applied Electronic Materials 2025-11-11
Ti Doping in Cs2HfX6(X = Cl, Br, I): A Route to Enhanced Photovoltaic and Thermoelectric Performance
Materials Chemistry and Physics 2025-11-01
Corrigendum to “Enhanced photocatalytic and antibacterial activity of TiO2 quantum dots doped with cerium/chitosan for environmental remediation: Experimental and theoretical approaches”: Materials chemistry and physics enhanced photocatalytic and antibacterial activity of TiO2 quantum dots doped with cerium/chitosan for environmental remediation: Experimental and theoretical approaches 29(2023) 127462 (Materials Chemistry and Physics (2023) 297, (S0254058423001700), (10.1016/j.matchemphys.2023.127462))
Optical Materials 2025-10-01
Size effect in plasmonic-enhanced photocatalysis in Au/TiO2 nanocomposites
Advanced Sustainable Systems 2025-10-01
Surface Modification of MoS2 Via Fluorine and Bromine Doping for Efficient Catalysis in Oxygen Evolution and Dye Degradation
International Journal of Hydrogen Energy 2025-09-24
Mixed-halide lead-free vacancy-ordered double perovskite Cs2Te(I1-xBrx)6 systems: Promising materials for efficient solar cells and CO2 reduction photocatalysis
Journal of Applied Physics 2025-09-21
K2ZnP2O7 as a next-generation self-activated phosphor: Synthesis, photoluminescence, and DFT-guided optical design
Chemical Communications 2025-08-05
Anthracene-terminated, self-assembled hole-transport monolayer for perovskite solar cells
Advanced Theory and Simulations 2025-08-01
Theoretical Exploration of Si7X (X = Ge, Sn): Bridging Structural and Energy-Related Applications
Applied Surface Science Advances 2025-08-01
Unlocking efficient RhB degradation by silver nanowires and porous graphene doped MoTe2: Combined experimental and DFT insights
Chemosphere 2025-08-01
Enhanced electrocatalytic OER performance of Ba/CS-CoFe2O4 ternary heterostructure catalyst: Experimental and theoretical insights
B 2025-07-01
Dynamic stability, half-metallicity, and optical properties of Fe2CrX (X = Si, Ge) full-heusler alloys: Competition between L21 and XA ordering
ChemistrySelect 2025-06-18
Advancing the Understanding of Co2CrGe1−xSix Heusler Alloys: A Computational Study on Their Electronic, Magnetic, Mechanical, and Thermodynamic Properties
Chemical Physics Impact 2025-06-01
Probing DCV5T-Me for Organic Photovoltaics: A Comprehensive DFT and NEGF Study
Battery Energy 2025-05-01
Tuning the Electronic and Optical Properties of Cu2ZnSn1−xGexS4 Alloys for Photovoltaic Applications: A Hybrid Density Functional Theory and Device Simulation Approach
Nanomaterials 2025-04-01
Unlocking the Potential of Mg-Doped Rare Earth Manganites: Machine Learning-Guided Synthesis and Insights into Structural and Optical Properties
RSC Advances 2025-03-07
Probing high-efficiency Cs0.05(FA0.77MA0.23)0.95Pb(I0.77Br0.23)3-based perovskite solar cells through first principles computations and SCAPS-1D simulation
Condensed Matter 2025-03-01
Comprehensive analysis of thermal, magnetic, and energy spectra in diatomic hydrides using Dirac equation solutions
Computational Condensed Matter 2025-03-01
Corrigendum to “Investigations of the physical behavior of Cr2PX (X = C and N) MAX phases through first-principles calculations” [Comput. Condens. Matter (2024)/ e00937] (Computational Condensed Matter (2024) 40, (S2352214324000595), (10.1016/j.cocom.2024.e00937))
Results in Physics 2025-02-01
Zintl germanides for thermoelectric applications: Insights from DFT and Boltzmann transport theory
Results in Chemistry 2025-01-01
A comprehensive study on the electronic, optical, and light harvesting examination of mixed cation 2-Br-PEAI/FAPbI3 perovskite solar cells through first principles calculations and numerical simulations
RSC Advances 2025-01-01
Data-driven exploration of Na–Bi compounds: a first-principles and machine learning approach to topological thermoelectrics
Nano Letters 2024-12-25
Metal-Free Peptide Semiconductor-Enhanced Raman Scattering
ACS Omega 2024-12-03
Machine Learning Models for Efficient Property Prediction of ABX3 Materials: A High-Throughput Approach
Solar Energy 2024-12-01
Inorganic Zn2SnO4 electron transport layer in single-junction perovskite solar cells achieving highly efficient performance exceeding 32.85 %
Journal of Physics and Chemistry of Solids 2024-12-01
Excitonic and optoelectronic investigations of bromide-chloride mixed vacancy-ordered double tellurium perovskite systems
Computational and Theoretical Chemistry 2024-12-01
A Comparative analysis of the physical properties of predicted MAX phases V2SnN and V2SnB with the synthesized V2SnC: Insights from DFT calculations
Surfaces and Interfaces 2024-12-01
Exploring Rashba spin-splitting and optoelectronic properties in lead-free 2D chiral hybrid perovskite (R-/S-/racemic-NEA)2SnI4 materials
Coordination Chemistry Reviews 2024-12-01
A comprehensive review on the synthesis of ferrite nanomaterials via bottom-up and top-down approaches advantages, disadvantages, characterizations and computational insights
Materials Today Sustainability 2024-12-01
Investigating the catalytic and antibacterial behavior of cesium-doped MoO3 nanostructures against methylene blue dye and MDR E. coli with DFT analysis
Neural Computing and Applications 2024-09-01
Predictive machine learning approaches for perovskites properties using their chemical formula: towards the discovery of stable solar cells materials
Computational Condensed Matter 2024-09-01
AI-driven ensemble learning for accurate Seebeck coefficient prediction in half-Heusler compounds based on chemical formulas
Investigations of the physical behavior of Cr2PX (X = C and N) MAX phases through first-principles calculations
Physica Scripta 2024-08-01
Unveiling the potential of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties
Physical Chemistry Chemical Physics 2024-08-01
Unraveling the influence of organic cations on tuning electronic structures and spin-splitting in two-dimensional layered organic-inorganic tin-iodine perovskites
Materials Today Communications 2024-08-01
V2XT2 (X: C, N; T: O, F) MXenes; potential two-dimensional materials for spintronics, optoelectronics, and photovoltaic applications
Nano Materials Science 2024-06-01
Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity
International Journal of Biological Macromolecules 2024-06-01
Experimental and computational approach of zirconium and chitosan doped NiCo2O4 nanorods served as dye degrader and bactericidal action
Materials Today Communications 2024-03-01
Investigating solid solutions: Geometric transformations triggered by germanium incorporation in Cu2ZnGexSn1−xS4
Machine Learning and Knowledge Extraction 2024-03-01
High-Throughput Ensemble-Learning-Driven Band Gap Prediction of Double Perovskites Solar Cells Absorber
Results in Physics 2024-02-01
Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights
International Journal of Hydrogen Energy 2024-01-02
Band gap engineering of Au doping and Au – N codoping into anatase TiO2 for enhancing the visible light photocatalytic performance
Chemical Physics Letters 2023-11-16
Systematic first-principles investigation of electronic, optical and thermoelectric properties of all-inorganic layered ruddlesden-popper mixed halide perovskite Cs2SnI2Br2
Optik 2023-11-01
Data driven enhancement of mid-infrared non-linear optical properties of quaternary and ternary chalcogenides
Physica Scripta 2023-09-01
Numerical investigation of octakis (4-methoxyphenyl) spiro [fluorene-9, 9′ xanthene]−2, 2′, 7, 7′-tetraamine) (X60) as hole transport layer in solid-state dye-sensitized solar cell
Journal of Nanoparticle Research 2023-09-01
Boosting efficiency and stability of perovskite solar cells via integrating engineered Li/Na-ferrite-based inorganic charge transport layers: a combined experimental and theoretical study
Computational and Theoretical Chemistry 2023-08-01
Investigating electronic and optical properties of pyrochlore oxides Ta2A2O7 (A = Cd and Ge) for promising optoelectronic applications
Energy and Fuels 2023-07-06
Ti Alloying as a Route to BaZrS3 Chalcogenide Perovskite with Enhanced Photovoltaic Performance
Journal of Solid State Chemistry 2023-07-01
Experimental synthesis of double perovskite functional nano-ceramic Eu2NiMnO6: Combining optical characterization and DFT calculations
Physical Chemistry Chemical Physics 2023-06-02
Combining second harmonic generation and multiphoton excited photo-luminescence to investigate TiO2 nanoparticle powders
Materials Today Communications 2023-06-01
Potential of low-cost inorganic CaFeO3 as transporting material for efficient perovskite solar cells
Advanced Materials Interfaces 2023-05-15
Fabrication of La-Doped MoS2 Nanosheets with Tuned Bandgap for Dye Degradation and Antimicrobial Activities, Experimental and Computational Investigations
Current Applied Physics 2023-05-01
Investigation of electronic and optical properties of the ternary chalcogenides for optoelectronic applications: A TB-mBJ DFT study
Peptide Science 2023-05-01
Thermally-controlled spherical peptide gel architectures prepared using the pH switch method
RSC Advances 2023-04-06
Experimental and theoretical study of catalytic dye degradation and bactericidal potential of multiple phase Bi and MoS2 doped SnO2 quantum dots
Heliyon 2023-04-01
Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties
Materials 2023-04-01
Machine Learning for Halide Perovskite Materials ABX3 (B = Pb, X = I, Br, Cl) Assessment of Structural Properties and Band Gap Engineering for Solar Energy
Optical and Quantum Electronics 2023-04-01
Electronic, magnetic and optical properties of Cr and Fe doped ZnS and CdS diluted magnetic semiconductors: revised study within TB-mBJ potential
Materials Chemistry and Physics 2023-03-01
Enhanced photocatalytic and antibacterial activity of TiO2 Quantum dots doped with Cerium/Chitosan for Environmental Remediation: Experimental and theoretical approaches
Polycyclic Aromatic Compounds 2023-01-01
FTIR, NMR and UV–Visible Spectral Investigations, Theoretical Calculations, Topological Analysis, Chemical Stablity, and Molecular Docking Study on Novel Bioactive Compound: The 5-(5-Nitro Furan-2-Ylmethylen), 3-N-(2-Methoxy Phenyl),2-N′- (2-Methoxyphenyl) Imino Thiazolidin-4-One
Frontiers in Environmental Science 2023-01-01
Experimental and DFT study of GO-decorated CaO quantum dots for catalytic dye degradation and bactericidal potential
ACS Omega 2022-12-20
Facile Synthesis of Barium-Doped Cadmium Sulfide Quantum Dots for the Treatment of Polluted Water: Experimental and Computational Investigations
Catalysts 2022-12-01
Insight into the Effect of Anionic–Anionic Co-Doping on BaTiO3 for Visible Light Photocatalytic Water Splitting: A First-Principles Hybrid Computational Study
RSC Advances 2022-11-09
Synthesis of Al/starch co-doped in CaO nanoparticles for enhanced catalytic and antimicrobial activities: experimental and DFT approaches
Optical Materials 2022-10-01
Simultaneous Second Harmonic Generation and multiphoton excited photoluminescence in anatase TiO2 nano powders
Crystals 2022-10-01
Spin-Polarized Study of the Structural, Optoelectronic, and Thermoelectric Properties of the Melilite-Type Gd2Be2GeO7 Compound
International Journal of Energy Research 2022-09-01
Design and numerical simulation of highly efficient mixed-organic cation mixed-metal cation perovskite solar cells
Nanoscale Advances 2022-08-16
The enhanced photocatalytic performance and first-principles computational insights of Ba doping-dependent TiO2 quantum dots
Materials 2022-08-01
Hybrid Density Functional Investigation of Cu Doping Impact on the Electronic Structures and Optical Characteristics of TiO2 for Improved Visible Light Absorption
Vacuum 2022-07-01
Sensibility to chemical preparation method and thermal study of lithium zinc iodate mixture and prediction of structure, linear optical properties of αLiZn(IO3)3 polymorph from DFT
RSC Advances 2022-06-07
Novel Ta/chitosan-doped CuO nanorods for catalytic purification of industrial wastewater and antimicrobial applications
Bulletin of Materials Science 2022-06-01
Theoretical study of the magnetic and magnetocaloric properties of La0.7Sr0.3Mn0.95Fe0.05O3 perovskite manganites at low and high applied magnetic fields: Landau theory and phenomenological models
ACS Omega 2022-04-26
Experimental and Computational Study of Zr and CNC-Doped MnO2Nanorods for Photocatalytic and Antibacterial Activity
ACS Applied Materials and Interfaces 2022-03-16
Structural Transition-Induced Raman Enhancement in Bioinspired Diphenylalanine Peptide Nanotubes
Nanomaterials 2022-03-01
Low-Cost Inorganic Strontium Ferrite a Novel Hole Transporting Material for Efficient Perovskite Solar Cells
Surfaces and Interfaces 2021-12-01
Vacancy defects- and strain-tunable electronic structures and magnetism in two-dimensional MoTe2: Insight from first-principles calculations
Crystals 2021-12-01
Physical properties investigations of ternary-layered carbides m2pbc (M = ti, zr and hf): First-principles calculations
An experimental and theoretical study on the effect of silver nanoparticles concentration on the structural, morphological, optical, and electronic properties of tio2 nanocrystals
Optik 2021-12-01
First-principles investigations of thermoelectric properties of novel polytypes of Indium phosphide
Molecular docking and DFT analyses of magnetic cobalt doped MoS2 and BN nanocomposites for catalytic and antimicrobial explorations
International Journal of Energy Research 2021-11-01
A review on perovskite materials with solar cell prospective
B 2021-10-01
h-BN nanosheets doped with transition metals for environmental remediation; a DFT approach and molecular docking analysis
Materials Today Energy 2021-09-01
Insights into the impact of Mn-doped inorganic CsPbBr3 perovskite on electronic structures and magnetism for photovoltaic application
Solar Energy 2021-08-01
Insights into the impact of metal tin substitution on methylammonium lead bromide perovskite performance for photovoltaic application
Crystals 2021-08-01
Revisiting the electronic structures and phonon properties of thermoelectric antimonide-tellurides: Spin–orbit coupling induced gap opening in ZrSbTe and HfSbTe
Solar Energy Materials and Solar Cells 2021-06-15
Directly grown of NiCo2S4 nanoparticles on a conducting substrate towards the high-performance counter electrode in dye-sensitized solar cell: A combined theoretical and experimental study
International Journal of Energy Research 2021-06-10
Device design for high-efficiency monolithic two-terminal, four-terminal mechanically stacked, and four-terminal optically coupled perovskite-silicon tandem solar cells
Dalton Transactions 2021-05-21
Liquid-phase exfoliated MoS2nanosheets doped with: P -type transition metals: A comparative analysis of photocatalytic and antimicrobial potential combined with density functional theory
Journal of Alloys and Compounds 2021-02-25
Experimental and theoretical studies of the solid-state performance of electrodeposited Yb2O3/As2Se3 nanocomposite films
International Journal of Hydrogen Energy 2021-01-06
Rb and Cs doping effects in sodium borohydride: Density functional theory for hydrogen (H2) storage purpose
Results in Physics 2021-01-01
Device design optimization with interface engineering for highly efficient mixed cations and halides perovskite solar cells
Nanoscale Research Letters 2021-01-01
Impact of Bi Doping into Boron Nitride Nanosheets on Electronic and Optical Properties Using Theoretical Calculations and Experiments
Heliyon 2020-12-01
Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one
Results in Physics 2020-09-01
Ytterbium doping effects into the Ba and Ti sites of perovskite barium titanate: Electronic structures and optical properties
Condensed Matter 2020-08-15
Exploring performances of hybrid perovskites tin-based photovoltaic solar cells: Non-equilibrium Green's functions and macroscopic approaches
Materialia 2020-08-01
Tailoring optoelectronic properties of monolayer transition metal dichalcogenide through alloying
Nanomaterials 2020-08-01
Synthesis and studies of electro-deposited yttrium arsenic selenide nanofilms for opto-electronic applications
ACS Omega 2020-06-30
Insights into the Impact of Yttrium Doping at the Ba and Ti Sites of BaTiO3on the Electronic Structures and Optical Properties: A First-Principles Study
Materialia 2020-05-01
Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13: Ab-initio and Boltzmann transport theory
Journal of Physics and Chemistry of Solids 2020-03-01
Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport model
Computational Condensed Matter 2019-12-01
Density functional theory within spin-orbit coupling and hubbard correction for investigation of optoelectronic properties of the orthorhombic perovskite LaPdO 3
Scientific Reports 2019-12-01
Toward a better understanding of the enhancing/embrittling effects of impurities in Nickel grain boundaries
Materials in Electronics 2019-11-01
Room temperature ferromagnetism in ball milled Cu-doped ZnO nanocrystallines: an experimental and first-principles DFT studies
Materials Research Bulletin 2019-10-01
Europium incorporation dynamics within NiO films deposited by sol-gel spin coating: Experimental and theoretical studies
SPIN 2019-09-01
Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4
Laser Physics Letters 2019-04-16
Improving stability of zinc nanoparticles in chitosan solution with a nanosecond pulsed laser
Solar Energy 2019-04-01
Toward development of high-performance perovskite solar cells based on CH3NH3GeI3 using computational approach
Synthesis, Properties and Applications 2019-01-01
Modeling of Nanosheets Based on Transition-Metal Dichalcogenides for Spintronic Applications: Insights From First-Principles
Solid State Sciences 2019-01-01
Elucidating linear and nonlinear optical properties of defect chalcopyrite compounds ZnX2Te4 (X=Al, Ga, In) from electronic transitions
Synthesis, Properties and Applications 2018-11-26
Journal of Alloys and Compounds 2018-07-15
Effect of (Cd, Al) Co-doping and hydrogenation on the long-range ferromagnetic ordering of ZnO: Experimental and DFT studies
Journal of Alloys and Compounds 2018-06-05
Tuning magnetic properties of two-dimensional MoTe2 monolayer by doping 3d transition metals: Insights from first principles calculations
Journal of Physical Chemistry C 2018-02-08
Shaping the Magnetic Properties of BaFeO3 Perovskite-Type by Alkaline-Earth Doping
Journal of Molecular Modeling 2018-02-01
Electronic and optical properties of functionalized zigzag ZnO nanotubes
Computation 2017-06-01
Theoretical prediction of electronic structures and phonon dispersion of Ce2XN2 (X = S, Se, and Te) Ternary
Solid State Communications 2017-03-01
Insight into the origin of magnetism in Iron-doped cadmium sulfide thin films from first principles calculations
Current Applied Physics 2017-02-01
Engineering of highly mismatched alloy with semiconductor and semi-metallic substituent's for photovoltaic applications
Journal of Electronic Materials 2017-01-01
Predicted Thermoelectric Properties of the Layered XBi4S7 (X = Mn, Fe) Based Materials: First Principles Calculations
Solid State Sciences 2016-08-01
Optoelectronic structure and related transport properties of BiCuSeO-based oxychalcogenides: First principle calculations
Renewable Energy 2016-05-01
Density-functional theory study of high hydrogen content complex hydrides Mg(BH4)2 at low temperature
Frontiers of Physics 2016-02-01
Dominant ferromagnetic coupling over antiferromagnetic in Ni doped ZnO: First-principles calculations
ECS Journal of Solid State Science and Technology 2016-01-01
Optoelectronic characterization of cu-phthalocyanine molecule and β-molecular crystal for organic photovoltaic applications
RSC Advances 2016-01-01
First principles study of the adsorption and dissociation mechanisms of H2S on a TiO2 anatase (001) surface
Journal of Physical Chemistry C 2015-06-25
Tuning magnetic properties of BiFeO3 thin films by controlling rare-earth doping: Experimental and first-principles studies
RSC Advances 2015-01-01
Revealing a room temperature ferromagnetism in cadmium oxide nanoparticles: An experimental and first-principles study
ChemCatChem 2015-01-01
Controlled surface segregation leads to efficient coke-resistant nickel/platinum bimetallic catalysts for the dry reforming of methane
Physical Review B - Condensed Matter and Materials Physics 2014-10-21
Electronic structure and mechanical properties of ternary ZrTaN alloys studied by ab initio calculations and thin-film growth experiments
Surface and Coatings Technology 2014-09-25
Effect of alloying on elastic properties of ZrN based transition metal nitride alloys
Journal of Materials Chemistry A 2014-06-28
Ferromagnetism in Cr-doped passivated AlN nanowires
Journal of Physical Chemistry C 2014-06-26
Quantifying the impact of relativity and of dispersion interactions on the activation of molecular oxygen promoted by noble metal nanoparticles
International Journal of Hydrogen Energy 2014-06-15
Hybrid functional calculations of potential hydrogen storage material: Complex dimagnesium iron hydride
Handbook of Research on Nanoscience, Nanotechnology, and Advanced Materials 2014-03-31
Theoretical assessment of the mechanical, electronic, and vibrational properties of the paramagnetic insulating cerium dioxide and investigation of intrinsic defects
Solar Energy 2014-01-01
Study of wurtzite and zincblende GaN/InN based solar cells alloys: First-principles investigation within the improved modified Becke-Johnson potential
Journal of Physics Condensed Matter 2013-10-30
The origin of magnetism in transition metal-doped ZrO2 thin films: Experiment and theory
Semiconductor Science and Technology 2013-08-01
Ab initio investigations of the strontium gallium nitride ternaries Sr 3GaN3 and Sr6GaN5: Promising materials for optoelectronic
Journal of Applied Physics 2013-01-07
Spin-polarization reversal at the interface between benzene and Fe(100)
Journal of Solid State Chemistry 2013-01-01
DFTU study of the oxide-ion conductor pentalanthanum hexamolybdenum henicosaoxide
Physica Scripta 2013-01-01
First principle investigations of the physical properties of hydrogen-rich MgH2
Advances in Science and Technology of Mn+1AXn Phases 2012-10-26
Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases
Journal of Physical Chemistry C 2012-05-31
Structure, elastic stiffness, and hardness of Os 1- xRu xB 2 solid solution transition-metal diborides
Applied Physics Letters 2012-05-28
Ferromagnetism carried by highly delocalized hybrid states in Sc-doped ZnO thin films
Chemical Physics Letters 2012-04-12
Magnetism in Sc-doped ZnO with zinc vacancies: A hybrid density functional and GGA + U approaches
Journal of Magnetism and Magnetic Materials 2012-04-01
Evidence of Coulomb correction and spinorbit coupling in rare-earth dioxides CeO 2, PrO 2 and TbO 2: An ab initio study
Computational Materials Science 2012-02-01
On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
Chemistry of Materials 2011-09-13
Nonlinear optical switching behavior in the solid state: A theoretical investigation on anils
Journal of Applied Physics 2011-04-15
Ab initio investigation on the magnetic ordering in Gd doped ZnO
International Journal of Quantum Chemistry 2011-03-15
Calculating the second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine N-oxide, 2-carboxylic acid-4-nitropyridine-1-oxide, 2-methyl-4-nitroaniline, and m-nitroaniline crystals
Central European Journal of Physics 2011-01-01
Structural stability, elastic constants, bonding characteristics and thermal properties of zincblende, rocksalt and fluorite phases in copper nitrides: Plane-wave pseudo-potential ab initio calculations
International Journal of Quantum Chemistry 2011-01-01
Theoretical assessment of new molecules for second-order nonlinear optics
General, Atomic and Solid State Physics 2010-08-23
Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms
Solid State Communications 2010-06-01
Origin of incompressibility and hardness from electronic and mechanical properties of hard material ruthenium diboride
Solid State Sciences 2010-05-01
Electro-structural correlations, elastic and optical properties among the nanolaminated ternary carbides Zr2AC
Chemical Physics Letters 2010-03-05
Electrostatic modeling of the linear optical susceptibilities of 2-methyl-4-nitroaniline, m-nitroaniline, 3-methyl-4-nitropyridine N-oxide and 2-carboxylic acid-4-nitropyridine-1-oxide crystals
Computational Materials Science 2009-12-01
Theoretical study of mechanical, electronic, chemical bonding and optical properties of Ti2SnC, Zr2SnC, Hf2SnC and Nb2SnC
Journal of Physics Condensed Matter 2009-04-08
Steric effect on the M site of nanolaminate compounds M2SnC (M = Ti, Zr, Hf andNb)
Journal of Magnetism and Magnetic Materials 2009-04-01
PtMn3 N0.25: A potential candidate for spintronic applications by ab initio calculations
Journal of Physical Chemistry C 2009-03-26
First-principles investigations of the physical properties of magnesium nitridoboride
Materials Science Forum 2009-01-01
Effect of chromium and vanadium on nanolayered ternary carbides: AB initio study
Ab initio calculation of electronic structure and magnetic properties of rare earth nitride using LDA+U approach: EuN and GaEuN
Semiconductor Science and Technology 2008-12-01
Theoretical study of structural parameters and energy gap composition dependence of Ga1-xBxN alloys
Computational Materials Science 2008-08-01
Theoretical investigations of structural, elastic, electronic and thermal properties of Damiaoite PtIn2
Condensed Matter 2008-08-01
Analysis of Mn K edge X-ray absorption spectrum in Al1 - x Mnx N by full potential calculations
Journal of Physics Condensed Matter 2008-02-27
Structure of the ternary carbide Ti3SnC2 from ab initio calculations
Applied Physics 2008-02-07
Electronic structure and magnetism of Eu-doped GaN: First-principles study based on LDA+U
Physical Review B - Condensed Matter and Materials Physics 2007-10-23
Structure and mechanical stability of molybdenum nitrides: A first-principles study
General, Atomic and Solid State Physics 2007-02-19
Investigation of structural stability and electronic properties of CuN, AgN and AuN by first principles calculations
Journal of Magnetism and Magnetic Materials 2006-07-01
Ab initio study of electronic structures and magnetism in ZnMnTe and CdMnTe diluted magnetic semiconductors
Physical Review B - Condensed Matter and Materials Physics 2005-09-15
Electronic properties of the binary noble metal nitride PtN: First-principles calculations
Journal of Applied Physics 2005-09-15
Ab initio study of structural parameters and gap bowing in zinc-blende Al xGa 1-xN and Al xIn 1-xN alloys
X-ray absorption near-edge structure and valence state of Mn in (Ga,Mn)N
Materials Chemistry and Physics 2005-08-15
Full-potential investigation of the electronic and optical properties of stressed CdTe and ZnTe
Applied Physics 2005-06-21
First-principles investigation of electronic structure and magnetic properties in ferromagnetic GaxMn1-xN and Al xMn1-xN
Semiconductor Science and Technology 2004-11-01
Zinc-blende AIN and GaN under pressure: Structural, electronic, elastic and piezoelectric properties
B 2004-08-25
Empirical molecular dynamics study of structural, elastic and thermodynamic properties of zinc-blende-like SiGe compound
Chemical Physics 2004-07-12
Prediction of structural and thermodynamic properties of zinc-blende AlN: Molecular dynamics simulation
Journal of Alloys and Compounds 2004-03-10
Properties of strained zinc-blende GaN: First-principles study
Solid-State Electronics 2004-01-01
Prediction study of elastic properties under pressure effect for zincblende BN, AlN, GaN and InN
Materials Chemistry and Physics 2003-11-15
Ab initio study of electronic properties of zincblende AlN and deformation potentials under hydrostatic stress
Solid State Sciences 2003-09-01
Molecular-dynamics simulations of structural and thermodynamic properties of ZnTe using a three-body potential
General, Atomic and Solid State Physics 2003-08-18
Stress-dependence tight binding study of tellurium-based II-VI semiconductors
Superlattices and Microstructures 2002-01-01
Electronic and optical properties of CdTe under hydrostatic pressure effect
General, Atomic and Solid State Physics 2000-07-17
Molecular-dynamics study of the structural, elastic and thermodynamic properties of cadmium telluride
