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Atomic structure, comparative stability and electronic properties of hydroxylated Ti2C and Ti3C2 nanotubes

Computational and theoretical chemistry, 2012-06, Vol.989, p.27-32

2012

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New ternary ThCr2Si2-type iron–selenide superconducting materials: Synthesis, properties and simulations

Physica. C, Superconductivity, 2011-07, Vol.471 (13-14), p.409-427

Ivanovskii, A.L.

2011

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Electronic structure and Fermi surface of new K intercalated iron selenide superconductor KxFe2Se2

Physics letters. A, 2011-02, Vol.375 (6), p.1028-1031

2011

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Structural, electronic properties, and chemical bonding in quaternary layered titanium pnictide-oxides Na2Ti2Pn2O and BaTi2Pn2O (Pn=As, Sb) from FLAPW–GGA calculations

Journal of alloys and compounds, 2013-07, Vol.564, p.117-124

2013

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Graphynes and graphdyines

Progress in solid state chemistry, 2013-05, Vol.41 (1-2), p.1-19

Ivanovskii, A.L.

2013

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Magnetism without magnetic ions in non-magnetic perovskites SrTiO3, SrZrO3 and SrSnO3

Journal of magnetism and magnetic materials, 2008-03, Vol.320 (6), p.936-942

2008

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Graphene-like titanium carbides and nitrides Tin+1Cn, Tin+1Nn (n=1, 2, and 3) from de-intercalated MAX phases: First-principles probing of their structural, electronic properties and relative stability

Computational materials science, 2012-12, Vol.65, p.104-114

2012

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Structural, cohesive and electronic properties of titanium oxycarbides (TiC x O 1− x ) nanowires and nanotubes: DFT modeling

Chemical physics, 2009-07, Vol.362 (1), p.58-64

2009

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Mechanical and electronic properties of diborides of transition 3d-5d metals from first principles: Toward search of novel ultra-incompressible and superhard materials

Progress in materials science, 2012, Vol.57 (1), p.184-228

IVANOVSKII, A. L

2012

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The effect of arsenic vacancies on the electronic and magnetic properties of LaFeAs1−xO

Journal of magnetism and magnetic materials, 2013-06, Vol.335, p.21-27

2013

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Hardness of hexagonal AlB2-like diborides of s, p and d metals from semi-empirical estimations

International journal of refractory metals & hard materials, 2013-01, Vol.36, p.179-182

Ivanovskii, A.L.

2013

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Electronic properties and chemical bonding in quaternary arsenide oxides LaZnAsO and YZnAsO

Materials chemistry and physics, 2009-07, Vol.116 (1), p.129-133

2009

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Graphene-based and graphene-like materials

Russian chemical reviews, 2012-01, Vol.81 (7), p.571-605

Ivanovskii, Alexander L

2012

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Structural and electronic properties of new 1D and 2D carbon allotropes with mixed sp1−sp3 hybridization types

Chemical physics letters, 2014-08, Vol.609, p.15-20

2014

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Graphene-like transition-metal nanocarbides and nanonitrides

Russian chemical reviews, 2013-01, Vol.82 (8), p.735-746

2013

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Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti{sub 3}C{sub 2−x}N{sub x}(OH){sub 2} from DFTB calculations

Journal of solid state chemistry, 2013-11, Vol.207

2013

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Structure and electronic properties of new rutile-like rhenium (IV) dioxide ReO2

Physics letters. A, 2005-12, Vol.348 (1-2), p.66-70

2005

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Elastic properties of quaternary oxypnictides LaOFeAs and LaOFeP as basic phases for new 26–52 K superconducting materials from first principles

Scripta materialia, 2008-11, Vol.59 (10), p.1099-1102

2008

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Fluorinated derivatives of sp2 graphene allotropes: Structure, stability, and electronic properties

Chemical physics letters, 2012-08, Vol.545, p.78-82

2012

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New ternary ThCr 2Si 2-type iron–selenide superconducting materials: Synthesis, properties and simulations

Physica. C, Superconductivity, 2011, Vol.471 (13), p.409-427

Ivanovskii, A.L.

2011

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Electronic, magnetic properties and chemical bonding in layered oxychalcogenides Ca{sub 4}Fe{sub 2}Cu{sub 2}S{sub 2}O{sub 6} and Ca{sub 4}Fe{sub 2}Cu{sub 2}Se{sub 2}O{sub 6} from first principles calculations

Journal of solid state chemistry, 2012-10, Vol.194

2012

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Structural, elastic, and electronic properties of new 211 MAX phase Nb2GeC from first-principles calculations

Physica. B, Condensed matter, 2013-02, Vol.410, p.42-48

2013

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Graphene-like BN allotropes: Structural and electronic properties from DFTB calculations

Chemical physics letters, 2011-06, Vol.509 (4-6), p.143-147

2011

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Layers and tubes of fluorographene C4F: Stability, structural and electronic properties from DFTB calculations

Chemical physics letters, 2013-06, Vol.576, p.44-48

2013

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Structural, electronic and magnetic properties of η carbides (Fe 3W 3C, Fe 6W 6C, Co 3W 3C and Co 6W 6C) from first principles calculations

Physica. B, Condensed matter, 2009-11, Vol.404 (20), p.3544-3549

2009

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Atomic structure, comparative stability and electronic properties of hydroxylated Ti2C and Ti3C2 nanotubes

New ternary ThCr2Si2-type iron–selenide superconducting materials: Synthesis, properties and simulations

Electronic structure and Fermi surface of new K intercalated iron selenide superconductor KxFe2Se2

Structural, electronic properties, and chemical bonding in quaternary layered titanium pnictide-oxides Na2Ti2Pn2O and BaTi2Pn2O (Pn=As, Sb) from FLAPW–GGA calculations

Graphynes and graphdyines

Magnetism without magnetic ions in non-magnetic perovskites SrTiO3, SrZrO3 and SrSnO3

Graphene-like titanium carbides and nitrides Tin+1Cn, Tin+1Nn (n=1, 2, and 3) from de-intercalated MAX phases: First-principles probing of their structural, electronic properties and relative stability

Structural, cohesive and electronic properties of titanium oxycarbides (TiC x O 1− x ) nanowires and nanotubes: DFT modeling

Mechanical and electronic properties of diborides of transition 3d-5d metals from first principles: Toward search of novel ultra-incompressible and superhard materials

The effect of arsenic vacancies on the electronic and magnetic properties of LaFeAs1−xO

Hardness of hexagonal AlB2-like diborides of s, p and d metals from semi-empirical estimations

Electronic properties and chemical bonding in quaternary arsenide oxides LaZnAsO and YZnAsO

Graphene-based and graphene-like materials

Structural and electronic properties of new 1D and 2D carbon allotropes with mixed sp1−sp3 hybridization types

Graphene-like transition-metal nanocarbides and nanonitrides

Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti{sub 3}C{sub 2−x}N{sub x}(OH){sub 2} from DFTB calculations

Structure and electronic properties of new rutile-like rhenium (IV) dioxide ReO2

Elastic properties of quaternary oxypnictides LaOFeAs and LaOFeP as basic phases for new 26–52 K superconducting materials from first principles

Fluorinated derivatives of sp2 graphene allotropes: Structure, stability, and electronic properties

New ternary ThCr 2Si 2-type iron–selenide superconducting materials: Synthesis, properties and simulations

Electronic, magnetic properties and chemical bonding in layered oxychalcogenides Ca{sub 4}Fe{sub 2}Cu{sub 2}S{sub 2}O{sub 6} and Ca{sub 4}Fe{sub 2}Cu{sub 2}Se{sub 2}O{sub 6} from first principles calculations

Structural, elastic, and electronic properties of new 211 MAX phase Nb2GeC from first-principles calculations

Graphene-like BN allotropes: Structural and electronic properties from DFTB calculations

Layers and tubes of fluorographene C4F: Stability, structural and electronic properties from DFTB calculations

Structural, electronic and magnetic properties of η carbides (Fe 3W 3C, Fe 6W 6C, Co 3W 3C and Co 6W 6C) from first principles calculations

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