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Electronic structure and magnetism of new scandium-based full Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn)

Journal of alloys and compounds, 2014-06, Vol.598, p.230-235

Birsan, A.

2014

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Ab-initio investigations on elastic properties in L12 structure Al3Sc and Al3Y under high pressure

Journal of alloys and compounds, 2014-02, Vol.585, p.587-593

2014

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Crystal structure, electronic properties and optical band gap of KLa(1−x)Eux(PO3)4

Journal of alloys and compounds, 2014-10, Vol.609, p.222-227

2014

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Magnetic properties and origin of the half-metallicity of Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure

Journal of magnetism and magnetic materials, 2014-01, Vol.349, p.104-108

2014

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Structure and magnetic properties of Fe2NiZ (Z=Al, Ga, Si and Ge) Heusler alloys

Physica. B, Condensed matter, 2013-07, Vol.420, p.86-89

2013

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Stability and properties of alloyed ε-(Fe1−xMx)3N nitrides (M=Cr, Ni, Mo, V, Co, Nb, Mn, Ti and Cu): A first-principles calculations

Journal of alloys and compounds, 2014-12, Vol.615, p.854-862

2014

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Electronic and elastic properties of ε-phases Cr2-xVxN (x=0, 1, 2) from density-functional calculations

Journal of alloys and compounds, 2014, Vol.583, p.79-84

2014

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Tuning Fermi level of Cr2CoZ (Z=Al and Si) inverse Heusler alloys via Fe-doping for maximum spin polarization

Journal of magnetism and magnetic materials, 2014-12, Vol.370, p.81-86

2014

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Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties

Journal of magnetism and magnetic materials, 2014-11, Vol.369, p.205-210

2014

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Electronic structure and point defect concentrations of C11b MoSi2 by first-principles calculations

Journal of alloys and compounds, 2014-08, Vol.605, p.45-50

2014

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First-principles study of half-metallic properties for the Heusler alloys Sc2CrZ (Z=C, Si, Ge, Sn)

Computational materials science, 2013-11, Vol.79, p.345-351

2013

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Structural, electronic and magnetic properties of electron-doped double perovskite Ba2−xLaxCrMoO6 (x=0,1,2): From LMTO-PLW+(LSDA+U) technique

Journal of alloys and compounds, 2014-02, Vol.587, p.652-658

MUSA SAAD, M. H.-E

2014

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Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

Journal of magnetism and magnetic materials, 2014-02, Vol.351, p.98-103

2014

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A first principles study of phase stability, bonding, electronic and lattice dynamical properties of beryllium chalcogenides at high pressure

Journal of alloys and compounds, 2014-12, Vol.617, p.905-914

2014

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First-principles study of ceramic material (Ti1-xNbx)2AlC compounds and its compressive behavior under pressure up to 55 GPa

Journal of alloys and compounds, 2014-04, Vol.591, p.110-116

2014

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Electronic structure and magnetism of binary Fe-based half-Heusler alloys Fe2Z (Z=In, Sn, Sb and As)

Journal of magnetism and magnetic materials, 2013-04, Vol.331, p.82-87

2013

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An ab initio molecular dynamics study on the structural and electronic properties of AlB2, TiB2 and (Alx,Ti(1−x))B2 in Al–Ti–B master alloys

Journal of alloys and compounds, 2014-02, Vol.585, p.529-534

2014

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Pressure effect on the structural, elastic and electronic properties of Nb2AC (A=S and In) phases; ab initio study

Computational materials science, 2014-01, Vol.81, p.184-190

2014

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Electronic structure, magnetic and thermal properties of Rh2MnZ (Z=Ge, Sn, Pb) compounds under pressure from ab-initio quasi-harmonic method

Journal of magnetism and magnetic materials, , Vol.371, p.130-134

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The role of Co impurities and oxygen vacancies in the ferromagnetism of Co-doped SnO2: GGA and GGA+U studies

Journal of magnetism and magnetic materials, 2009-10, Vol.321 (19), p.3114-3119

2009

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Band Jahn―Teller effects in Rh2TMSn full Heusler compounds

Journal of alloys and compounds, 2014, Vol.618, p.78-83

2014

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Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

Solid state communications, 2013-02, Vol.155, p.62-68

2013

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Synthesis, characterization and solid state electrical properties of 1-D coordination polymer of the type [CuxNi1−x(dadb)·yH2O]n

Journal of solid state chemistry, 2012-12, Vol.196, p.471-481

2012

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X-ray diffraction experiments, luminescence measurements and first-principles GGA+U calculations on YTaO4

Computational materials science, 2013-09, Vol.77, p.13-18

2013

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Electronic structure of CdTe using GGA+USIC

Physica. B, Condensed matter, 2014-11, Vol.452, p.119-123

2014

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Electronic structure and magnetism of new scandium-based full Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn)

Ab-initio investigations on elastic properties in L12 structure Al3Sc and Al3Y under high pressure

Crystal structure, electronic properties and optical band gap of KLa(1−x)Eux(PO3)4

Magnetic properties and origin of the half-metallicity of Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure

Structure and magnetic properties of Fe2NiZ (Z=Al, Ga, Si and Ge) Heusler alloys

Stability and properties of alloyed ε-(Fe1−xMx)3N nitrides (M=Cr, Ni, Mo, V, Co, Nb, Mn, Ti and Cu): A first-principles calculations

Electronic and elastic properties of ε-phases Cr2-xVxN (x=0, 1, 2) from density-functional calculations

Tuning Fermi level of Cr2CoZ (Z=Al and Si) inverse Heusler alloys via Fe-doping for maximum spin polarization

Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties

Electronic structure and point defect concentrations of C11b MoSi2 by first-principles calculations

First-principles study of half-metallic properties for the Heusler alloys Sc2CrZ (Z=C, Si, Ge, Sn)

Structural, electronic and magnetic properties of electron-doped double perovskite Ba2−xLaxCrMoO6 (x=0,1,2): From LMTO-PLW+(LSDA+U) technique

Electronic structure, Fermi surface and optical properties of metallic compound Be8(B48)B2

A first principles study of phase stability, bonding, electronic and lattice dynamical properties of beryllium chalcogenides at high pressure

First-principles study of ceramic material (Ti1-xNbx)2AlC compounds and its compressive behavior under pressure up to 55 GPa

Electronic structure and magnetism of binary Fe-based half-Heusler alloys Fe2Z (Z=In, Sn, Sb and As)

An ab initio molecular dynamics study on the structural and electronic properties of AlB2, TiB2 and (Alx,Ti(1−x))B2 in Al–Ti–B master alloys

Pressure effect on the structural, elastic and electronic properties of Nb2AC (A=S and In) phases; ab initio study

Electronic structure, magnetic and thermal properties of Rh2MnZ (Z=Ge, Sn, Pb) compounds under pressure from ab-initio quasi-harmonic method

The role of Co impurities and oxygen vacancies in the ferromagnetism of Co-doped SnO2: GGA and GGA+U studies

Band Jahn―Teller effects in Rh2TMSn full Heusler compounds

Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

Synthesis, characterization and solid state electrical properties of 1-D coordination polymer of the type [CuxNi1−x(dadb)·yH2O]n

X-ray diffraction experiments, luminescence measurements and first-principles GGA+U calculations on YTaO4

Electronic structure of CdTe using GGA+USIC

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