Keywords: نیمه فلزی; DFT; Half-metallic; Electronic and magnetic properties;
مقالات ISI نیمه فلزی (ترجمه نشده)
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Keywords: نیمه فلزی; Ductile; Grüneisen parameter; Half-metallic; Seebeck coefficient; Spin-polarized;
Keywords: نیمه فلزی; Half-metallic; Single walled CNT; Transition metal doping; Magnetic moment;
Magnetic and electronic properties of zigzag boron nitride nanoribbons with nonmetallic atom terminations from first-principles
Keywords: نیمه فلزی; Boron nitride nanoribbon; Electronic structures; Non-metallic atom termination; Half-metallic; First-principles;
Room-temperature ferromagnetism in alkaline-earth-metal doped AlP: First-principle calculations
Keywords: نیمه فلزی; Room-temperature ferromagnetism; Alkaline-earth-metal doped; Half-metallic; AlP;
First-principle calculations of structural, electronic and magnetic investigations of Mn2RuGe1-xSnx quaternary Heusler alloys
Keywords: نیمه فلزی; First-principle calculations; Electronic structure; Heusler alloy; Half-metallic;
Studies of electronic, magnetic and optical properties of europium nitride EuN doped with TM (Ti, V, Cr and Co): Ab-initio calculation
Keywords: نیمه فلزی; Ab-initio calculation; KKR-CPA; Diluted magnetic semiconductor; EuN; Half-metallic; K-edge X-ray absorption;
Ab initio study of fundamental properties of XAlO3 (XÂ =Â Cs, Rb and K) compounds
Keywords: نیمه فلزی; Half-metallic; Optical properties; Electronic properties; Magnetic properties; Ferromagnetic materials;
Theoretical investigation of the structural, optical and magnetic properties of Mn doped and (Mn, Cr) co-doped CdS in its cubic structure
Keywords: نیمه فلزی; DFT; DMS; Transition metal; Semiconductor; Optoelectronics; Half-metallic; CdS;
First-principles study of the electronic structure, magnetism, and phonon dispersions for CaX (XÂ = C, N) compounds
Keywords: نیمه فلزی; Density functional theory; Phase stability; Phonon; Half-metallic;
Electronic and mechanical properties of MgN compound: Prediction of stable half-metallic ferromagnet in NaCl and ZB phases
Keywords: نیمه فلزی; Electronic structure; Half-metallic; MgN; Density functional theory;
The structural, electronic and magnetic properties of a novel quaternary Heusler alloy TiZrCoSn
Keywords: نیمه فلزی; Quaternary Heusler alloy; Half-metallic; Electronic structures; Magnetic properties;
Magnetic and thermoelectric properties of ordered double perovskite Ba2FeMoO6
Keywords: نیمه فلزی; Half-metallic; Ferromagnetic; Double perovskite; FP-LAPW method;
First principles investigations on the electronic properties of Cr doped α-Ca(BH4)2
Keywords: نیمه فلزی; Half-metallic; Doped; Electronic structure; First principle; 71.15.Mb; 71.20.Ps; 71.55.Ht; 75.30.Hx;
Enhanced magnetoresistance in CaCu3(Mn4âxRex)O12 (x= 0, 0.1, 0.2) complex perovskites prepared at moderate pressures
Keywords: نیمه فلزی; Magnetoresistance; Manganites; CaCu3Mn4O12; LaCu3Mn4O12; High-pressure synthesis; Oxide materials; Neutron diffraction; Ferrimagnetism; Half-metallic; Double-exchange;
First-principles study on half-metallic zinc-blende CrS and its (001) surface
Keywords: نیمه فلزی; Half-metallic; Surface; First-principles
Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
Keywords: نیمه فلزی; Heusler compound; Ab initio calculations; Half-metallic; Spintronic; Electronic structure;
Theoretical investigation of the electronic and magnetic properties of TM (TM=Ti, V, and Cr)-doped w-BN compound
Keywords: نیمه فلزی; DFT; Half-metallic; Structural and electronic properties
Structural and electronic properties of V-doped cubic BN: A density functional theory study
Keywords: نیمه فلزی; DFT; Half-metallic; Structural and electronic properties
First-principle study of half-metallic ferromagnetism in rocksalt XO (X=Li, K, Rb, Cs)
Keywords: نیمه فلزی; First principle; Half-metallic; Magnetic moment; Electronic structure;
Crystal structure and electronic properties of CrAlGe
Keywords: نیمه فلزی; Cu2Sb; TiSi2; Ferromagnetism; Half-metallic;
Effects of S and N doping on the structural, magnetic and electronic properties of rutile CrO2
Keywords: نیمه فلزی; CrO2; Half-metallic; Magnetic properties; First-principle
The electronic structure and spin polarization of Co2Mn0.75(Gd, Eu)0.25Z (Z=Si, Ge, Ga, Al) quaternary Heusler alloys
Keywords: نیمه فلزی; Quaternary Heusler alloys; Half-metallic; Ab initio calculations;
Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP
Keywords: نیمه فلزی; Surface and interface; Half-Heusler alloy; First-principles calculations; Half-metallic
Prediction of half-metallic properties for the AMnSe2 (A=Rb, Cs) compounds from first-principle calculations
Keywords: نیمه فلزی; First-principle calculations; GGA and GGA+U; Spin-polarized; Half-metallic; Ternary chalcogenides; Elastic constants
Structural, electronic, and magnetic properties of 3D metal trioxide and tetraoxide superhalogen cluster-doped monolayer BN
Keywords: نیمه فلزی; 3D metal trioxides and tetraoxide superhalogen cluster; First-principles; Half-metallic; Monolayer BN
Prediction of metallic and half-metallic structure and elastic properties of Fe2Ti1âxMnxAl Heusler alloys
Keywords: نیمه فلزی; Elastic properties; Half-metallic; Heusler alloys; GGA; First-principles; Quaternary alloys;
Structural, half-metallic magnetism and elastic properties of the KMnQ2 (Q=O, S, Se, Te) chalcogenides from first-principles calculations
Keywords: نیمه فلزی; Ternary chalcogenides; Spin-polarized calculations; Half-metallic; Magnetic properties; Elastic constants
Half-metallic ferromagnetic properties of Cr- and V-doped AlP semiconductors
Keywords: نیمه فلزی; Doped AlP; Half-metallic; Electronic properties; Spintronic
Structural, electronic and magnetic properties of FCC Ba2CoBO6 [BÂ =Â Mo, W, Re, Os]: LSDA+U+SOC comparative investigation
Keywords: نیمه فلزی; Ba2CoBO6; Half-metallic; Antiferromagnetic; DFT; LSDA+U;
Half-metallic and magnetic properties of AlN nanosheets doped with nonmagnetic metals: A first-principles study
Keywords: نیمه فلزی; 2D AlN monolayer; Electronic structures; Half-metallic; First-principles;
Investigation of electronic structure, magnetic properties and thermal properties of the new half-metallic ferromagnetic full-Heusler alloys Cr2GdSi1âxGex: An ab-initio study
Keywords: نیمه فلزی; FP-LAPW method; Quaternary Heusler alloys; Half-metallic; Ferromagnetic;
Controlled electronic and magnetic properties of WSe2 monolayers by doping transition-metal atoms
Keywords: نیمه فلزی; Magnetism; Half-metallic; Electronic band structure;
First-principles study on the ferrimagnetic half-metallic Mn2FeAs alloy
Keywords: نیمه فلزی; Mn2FeAs full-Heusler alloy; Ferrimagnetic; Half-metallic
First-principles study on half-metallic properties of the Sr2GdReO6 double perovskite
Keywords: نیمه فلزی; Sr2GdReO6; Half-metallic; Magnetic properties; Electronic structure
First-principles investigation on the magnetism of low-concentration 3d (Cr, Mn, Fe Co, Ni)-doped BeTe semiconductors
Keywords: نیمه فلزی; Half-metallic; Diluted magnetic semiconductors; BeTe
Ab initio study of electronic structure and magnetic properties in ferromagnetic Sr1−x(Mn, Cr)xO alloys
Keywords: نیمه فلزی; Sr1−x(Mn, Cr)xO; Half-metallic; Ab initio calculations
Effects of single O vacancy on the magnetism and electronic structure of Ti doped CoO: A first principle study
Keywords: نیمه فلزی; Antiferromagnetism; O vacancy; Magnetic moment; Half-metallic
Structural and electronic properties of half-Heusler alloys PtXBi (with X=Mn, Fe, Co and Ni) calculated from first principles
Keywords: نیمه فلزی; First principles calculations; Half-Heusler alloys; Electronic and magnetic properties; Half-metallic;
Chemical bath deposition of Fe-doped ZnS thin films: Investigations of their ferromagnetic and half-metallic properties
Keywords: نیمه فلزی; ZnS:Fe; CBD; DFT; Half-metallic; Spintronics;
First principles study of structural, elastic, electronic and magnetic properties of Mn-doped AlY (Y=N, P, As) compounds
Keywords: نیمه فلزی; FP-LAPW +lo; Elastic parameters; Half-metallic; Exchange constants; Magnetic moments
Spin-polarized structural, elastic, electronic and magnetic properties of half-metallic ferromagnetism in V-doped ZnSe
Keywords: نیمه فلزی; Half-metallic; Magnetic moment; Band structure; FP-LAPW; GGA;
Magnetic properties and origin of the half-metallicity of Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure
Keywords: نیمه فلزی; Heusler alloy; Half-metallic; Magnetic properties; First-principles
Ferromagnetic half-metallic characteristic and phase transition in rare-earth Yb doped SiC: A GGA+U study
Keywords: نیمه فلزی; Half-metallic; Diluted magnetic semiconductor; Magnetic phase transition; GGA+U;
Influence of Ni-Ni separation on the optoelectronic and magnetic properties of Ni-doped cubic cadmium sulphide
Keywords: نیمه فلزی; Magnetic moment; Half-metallic; Configuration; Optical properties;
Electronic and magnetic properties of 3d-metal trioxides superhalogen cluster-doped monolayer MoS2: A first-principles study
Keywords: نیمه فلزی; 3d-metal trioxides superhalogen clusters; First-principles; Half-metallic; Monolayer MoS2
Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties
Keywords: نیمه فلزی; Half-metallic; Heusler alloy; Magnetic property; First-principle
Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)
Keywords: نیمه فلزی; Half-metallic; Heusler alloy; First-principles calculation;
Electronic, magnetic and optical properties of cubic double perovskites Ba2CrMoO6 and Ba2CrWO6 with (d3-d1) system
Keywords: نیمه فلزی; Double perovskite; Half-metallic; FP-LMTO computational method; LSDA;
First-principles prediction of the magnetism of 4f rare-earth-metal-doped wurtzite zinc oxide
Keywords: نیمه فلزی; ZnO; rare earths; ferromagnetism; DMS; electronic structure; magnetic properties; half-metallic; RE-doped ZnO; FP-LAPW method; density functional theory