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Density functional theory study of structural and thermodynamical stabilities of ferromagnetic MnX (X = P, As, Sb, Bi) compounds

Journal of physics. Condensed matter, 2019-02, Vol.31 (5), p.54001-054001

2019

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The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe2VAl

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-01, Vol.9 (6), p.2073-2085

2021

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Polaronic hole trapping in doped BaBiO3

Physical review letters, 2009-06, Vol.102 (25), p.256402-256402

2009

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Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co2MSi (M=Ti,V,Cr)

Journal of applied physics, 2006-12, Vol.100 (11)

2006

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Electronic thermal conductivity as derived by density functional theory

Physical review. B, Condensed matter and materials physics, 2013-07, Vol.88 (4), Article 045134

2013

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FLAPW: applications and implementations

Journal of physics. Condensed matter, 2009-02, Vol.21 (8), p.084201-084201 (14)

2009

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Ab initio study of the mechanical properties of NiAl microalloyed by X = Cr , Mo , Ti , Ga

Physical review. B, Condensed matter and materials physics, 2006-03, Vol.73 (10), Article 104114

2006

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Density functional theory study of MnO by a hybrid functional approach

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045132.1-045132.6, Article 045132

2005

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Synthesis, characterization, electronic structure, and phonon properties of the noncentrosymmetric superconductor LaPtSi

Physical review. B, Condensed matter and materials physics, 2013-09, Vol.88 (10), Article 104508

2013

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Superconductivity in non-centrosymmetric materials

Physica. C, Superconductivity, 2015-07, Vol.514, p.388-398

2015

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Thermoelectric properties of Ba-Cu-Si clathrates

Physical review. B, Condensed matter and materials physics, 2012-04, Vol.85 (16), Article 165127

2012

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Spin transition in a four-coordinate iron oxide

Nature chemistry, 2009-08, Vol.1 (5), p.371-376

2009

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Strain and structure driven complex magnetic ordering of a CoO overlayer on Ir(100)

Physical review letters, 2012-07, Vol.109 (1), p.015501-015501, Article 015501

2012

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The ternary system Au–Ba–Si: Clathrate solution, electronic structure, physical properties, phase equilibria and crystal structures

Acta materialia, 2012-03, Vol.60 (5), p.2324-2336

2012

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Boron-phil and boron-phob structure units in novel borides Ni3Zn2B and Ni2ZnB: experiment and first principles calculations

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (10), p.3303-3320

2018

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Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films

Physical review. B, 2016-11, Vol.94 (17), Article 174435

2016

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Cage-Forming Compounds in the Ba–Rh–Ge System: From Thermoelectrics to Superconductivity

Inorganic chemistry, 2013-01, Vol.52 (2), p.931-943

2013

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Boron-phil and boron-phob structure units in novel borides Ni 3 Zn 2 B and Ni 2 ZnB: experiment and first principles calculations

Dalton transactions : an international journal of inorganic chemistry, 2018-03, Vol.47 (10), p.3303-3320

2018

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Type-I clathrate Ba8NixSi46−x: Phase relations, crystal chemistry and thermoelectric properties

Dalton transactions : an international journal of inorganic chemistry, 2012-01, Vol.41 (29), p.8839-8849

2012

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Phase equilibria, crystal chemistry, electronic structure and physical properties of Ag–Ba–Ge clathrates

Acta materialia, 2011-04, Vol.59 (6), p.2368-2384

2011

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Superconductivity in novel Ge-based skutterudites: {Sr,Ba}pt4Ge12

Physical review letters, 2007-11, Vol.99 (21), p.217001-217001

2007

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Two-dimensional manganese oxide nanolayers on Pd(100): the surface phase diagram

Journal of physics. Condensed matter, 2009-04, Vol.21 (13), p.134008-134008 (11)

2009

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Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study

Journal of physics. Condensed matter, 2011-02, Vol.23 (4), p.045004-045004

2011

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A critical consideration of magnetism and composition of (bcc) Cu precipitates in (bcc) Fe

Applied physics. A, Materials science & processing, 2010-06, Vol.99 (4), p.697-704

2010

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Bonding and strength of solid nitrogen in the cubic gauche (cg-N) structure

Physical review. B, Condensed matter and materials physics, 2008-02, Vol.77 (6), Article 064103

2008

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Density functional theory study of structural and thermodynamical stabilities of ferromagnetic MnX (X = P, As, Sb, Bi) compounds

The electronic pseudo band gap states and electronic transport of the full-Heusler compound Fe2VAl

Polaronic hole trapping in doped BaBiO3

Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co2MSi (M=Ti,V,Cr)

Electronic thermal conductivity as derived by density functional theory

FLAPW: applications and implementations

Ab initio study of the mechanical properties of NiAl microalloyed by X = Cr , Mo , Ti , Ga

Density functional theory study of MnO by a hybrid functional approach

Synthesis, characterization, electronic structure, and phonon properties of the noncentrosymmetric superconductor LaPtSi

Superconductivity in non-centrosymmetric materials

Thermoelectric properties of Ba-Cu-Si clathrates

Spin transition in a four-coordinate iron oxide

Strain and structure driven complex magnetic ordering of a CoO overlayer on Ir(100)

The ternary system Au–Ba–Si: Clathrate solution, electronic structure, physical properties, phase equilibria and crystal structures

Boron-phil and boron-phob structure units in novel borides Ni3Zn2B and Ni2ZnB: experiment and first principles calculations

Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films

Cage-Forming Compounds in the Ba–Rh–Ge System: From Thermoelectrics to Superconductivity

Boron-phil and boron-phob structure units in novel borides Ni 3 Zn 2 B and Ni 2 ZnB: experiment and first principles calculations

Type-I clathrate Ba8NixSi46−x: Phase relations, crystal chemistry and thermoelectric properties

Phase equilibria, crystal chemistry, electronic structure and physical properties of Ag–Ba–Ge clathrates

Superconductivity in novel Ge-based skutterudites: {Sr,Ba}pt4Ge12

Two-dimensional manganese oxide nanolayers on Pd(100): the surface phase diagram

Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study

A critical consideration of magnetism and composition of (bcc) Cu precipitates in (bcc) Fe

Bonding and strength of solid nitrogen in the cubic gauche (cg-N) structure

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