A. L. Ivanovskii

Band structure of tetragonal and orthorhombic fluorine-arsenide SrFeAsF as a parent phases for a new group of oxygen-free FeAs superconductors

I. R. Shein, A. L. Ivanovskii

Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6

I. R. Shein, A. L. Ivanovskii

Ab initio study of elastic and electronic properties of cubic thorium pnictides ThPn and Th3Pn4 (Pn = P, As, and Sb)

I. R. Shein, A. L. Ivanovskii

Electronic properties of novel 6K superconductor LiFeP

I. R. Shein, A. L. Ivanovskii

Electronic structure of new quaternary superconductors LaONiBi and LaOCuBi from first principles

I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii

Electronic properties of new low-temperature superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6) from first principles

I. R. Shein, D. V. Suetin, A. L. Ivanovskii

cond-mat.supr-con2012

Electronic band structure, Fermi surface and effect of spin-orbit coupling for tetragonal low-temperature superconductor Bi2Pd from first principles

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2009

Elastic properties of superconducting LiFeAs from first principles

I. R. Shein, A. L. Ivanovskii

The band structure of hexagonal diborides ZrB2, VB2, NbB2 and TaB2 in comparison with the superconducting MgB2

I. R. Shein, A. L. Ivanovskii

Elastic properties and inter-atomic bonding in new superconductor KFe2Se2 from first principles calculations

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2012

Electronic, magnetic properties and correlation effects in the layered quaternary iron oxyselenide Na2Fe2Se2O from first principles

D. V. Suetin, I. R. Shein, A. L. Ivanovskii

Graphene allotropes: stability, structural and electronic properties from DF-TB calculations

A. N. Enyashin, A. L. Ivanovskii

First-principles study of electronic band structure and elastic properties of superconducting nanolaminate Ti2InC

I. R. Shein, A. L. Ivanovskii

Elastic properties of mono- and polycrystalline hexagonal AlB2-like diborides of s, p and d metals from first-principles calculations

I. R. Shein, A. L. Ivanovskii

New enlargement of the novel class of superconductors

V. L. Kozhevnikov, O. N. Leonidova, A. L. Ivanovskii +3

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

I. R. Shein, A. L. Ivanovskii

Structural and electronic properties of new "122" pnictogen-free superconductor SrPd2Ge2 as compared with SrNi2Ge2 and SrNi2As2: first principles calculations

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2012

Ab initio study of the elastic and electronic properties of tetragonal Th2NiC2

I. R. Shein, A. L. Ivanovskii

Magnetic and electronic properties of nitrogen-doped lanthanum sesquioxide La2O3 as predicted from first principles

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

First-Principles Prediction of Novel Magnetic Materials Based on ZrCuSiAs-like Semiconducting Pnictide-Oxides

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

Electronic structure of Ti-doped Sr4Sc2Fe2As2O6

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2013

2D titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2-xNx and Ti3C2-xNx(OH)2

A. N. Enyashin, A. L. Ivanovskii

cond-mat.mtrl-sci2011

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

A. L. Ivanovskii

Band structure of (Sr3Sc2O5)Fe2As2 as a possible parent phase for new FeAs superconductors

I. R. Shein, A. L. Ivanovskii

Electronic structure of superconducting MgB2 and related binary and ternary borides

N. I. Medvedeva, A. L. Ivanovskii, J. E. Medvedeva +1

cond-mat.mtrl-sci2004

Electronic structure of silver-deficient hexagonal AgB$_2$

I. R. Shein, N. I. Medvedeva, A. L. Ivanovskii

cond-mat.mtrl-sci2002

Electronic Properties of TiO$_2$ Nanotubes

V. V. Ivanovskaya, A. N. Enyashin, N. I. Medvedeva +1

cond-mat.supr-con2003

Electronic band structure of novel 18-K superconductor Y2C3 as compared with YC and YC2

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2013

Trends in structural, electronic properties, Fermi surface topology, and inter-atomic bonding in the series of ternary layered dichalcogenides KNi2S2, KNi2Se2, and KNi2Te2 from first principles calculations

V. V. Bannikov, A. L. Ivanovskii

Atomic models of non-stoichiometric layered diborides M$_{1-x}$B$_2$ (M = Mg, Al, Zr and Nb) from first principles

I. R. Shein, A. L. Ivanovskii

Electronic structure of oxygen-free 38K superconductor Ba1-xKxFe2As2 in comparison with BaFe2As2 from first principles

I. R. Shein, A. L. Ivanovskii

Electronic band structure, Fermi surface, and elastic properties of new 4.2K superconductor SrPtAs from first-principles calculations

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2003

Electronic properties of NiCl$_2$ tubular nanostructures

V. V. Ivanovskaya, A. N. Enyashin, N. I. Medvedeva +1

cond-mat.mtrl-sci2003

Computer Modeling of Electronic Properties of Scroll-like V2O5-based Nanotubes

A. N. Enyashin, V. V. Ivanovskaya, Yu. N. Makurin +1

Stability, structural, elastic and electronic properties of RuN polymorphs from first-principles calculations

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2013

Electronic band structure, Fermi surface, structural and elastic properties of two polymorphs of MgFeSeO as possible new superconducting systems

I. R. Shein, A. L. Ivanovskii

Electronic and elastic properties of the new 7.5K superconductor Nb2InC from first principles

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2002

Band structure of new superconducting AlB_2-like ternary silicides M(Al_{0.5}Si_{0.5})_2 and M(Ga_{0.5}Si_{0.5})_2 (M= Ca, Sr and Ba)

I. R. Shein, N. I. Medvedeva, A. L. Ivanovskii

Electronic properties of superconducting Sr4V2Fe2As2O6 versus Sr4Sc2Fe2As2O6

I. R. Shein, A. L. Ivanovskii

Electronic band structures and intra-atomic interactions in layered quaternary oxyarsenides LaZnAsO and YZnAsO

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2004

Electronic band structure and chemical bonding in the novel antiperovskite ZnCNi3 as compared with 8-K superconductor MgCNi3

I. R. Shein, K. I. Shein, N. I. Medvedeva +1

Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

Band structure of SrFeAsF and CaFeAsF as parent phases for a new group of oxygen-free FeAs superconductors

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2009

Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations

D. V. Suetin, I. R. Shein, A. L. Ivanovskii

Electronic structure and chemical bonding in novel tetragonal phase Ca10(Pt4As8)(Fe2As2)5 as a parent material for the new family of high-TC iron-pnictide superconductors

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2013

Electronic properties and Fermi surface for new Fe-free layered superconductor BaTi2Bi2O from first principles

D. V. Suetin, A. L. Ivanovskii

Ab initio probing of the electronic band structure and Fermi surface of fluorine-doped WO3 as a novel low-TC superconductor

I. R. Shein, A. L. Ivanovskii

Electronic properties and Fermi surfaces MgCNi$_{3}$ and related intermetallics

I. R. Shein, N. I. Medvedeva, A. L. Ivanovskii

Electronic structure and magnetism in BeO nanotubes induced by boron, carbon and nitrogen impurities

M. A. Gorbunova, I. R. Shein, Yu. N. Makurin +3

Electronic band structure of novel tetragonal BiOCuS as a parent phase for novel layered superconductors

I. R. Shein, A. L. Ivanovskii

Trends in structural and electronic properties for layered SrRu2As2, BaRu2As2, SrRh2As2 and BaRh2As2 from ab initio calculations

I. R. Shein, A. L. Ivanovskii

Elastic properties of quaternary oxyarsenide LaOFeAs as basic phase for new 26-52K superconductors

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2012

Fluorographynes: Stability, Structural and Electronic Properties

A. N. Enyashin, A. L. Ivanovskii

Electronic and elastic properties of new nitrogen-containing perovskite-like superconductor ZnNNi3

I. R. Shein, V. V. Bannikov, A. L. Ivanovskii

Elastic properties of superconducting MAX phases from first principles calculations

I. R. Shein, A. L. Ivanovskii

Structural, electronic properties and Fermi surface of ThCr2Si2-type tetragonal KFe2S2, KFe2Se2, and KFe2Te2 phases as parent systems of new ternary iron-chalcogenide superconductors

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2012

Electronic band structure and Fermi surface for new layered superconductor LaO0.5F0.5BiS2 in comparison with parent phase LaOBiS2 from first principles

I. R. Shein, A. L. Ivanovskii

Elastic properties and chemical bonding in ternary arsenide SrFe2As2 and quaternary oxyarsenide LaFeAsO - basic phases for new 38-55K superconductors

I. R. Shein, A. L. Ivanovskii

Elastic properties of ternary arsenide SrFe2As2 and quaternary oxyarsenide LaOFeAs as basic phases for new 38-55K superconductors from first principles

I. R. Shein, A. L. Ivanovskii

Atomic structure and electronic properties of nanotubes of layered iron-based superconductors

I. R. Shein, A. N. Enyashin, A. L. Ivanovskii

Structural, magnetic and electronic properties of quaternary oxybismuthides LaOMBi (where M = Sc, Ti ... Ni, Cu) - possible parent phases for new superconducting materials

I. R Shein, V. L. Kozhevnikov, A. L. Ivanovskii

cond-mat.mtrl-sci2011

Electronic band structure and inter-atomic bonding in layered 1111-like Th-based pnictide oxides ThCuPO, ThCuAsO, ThAgPO, and ThAgAsO from first principles calculations

V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2009

Structural, electronic and magnetic properties of ether carbides (Fe3W3C, Fe6W6C, Co3W3C and Co6W6C) from first principles calculations

D. V. Suetin, I. R. Shein, A. L. Ivanovskii

Electric field gradients in s-, p- and d-metal diborides and the effect of pressure on the band structure and T$_c$ in MgB$_2$

N. I. Medvedeva, A. L. Ivanovskii, J. E. Medvedeva +2

cond-mat.supr-con2002

Effect of metal vacancies on the electronic band structure of hexagonal Nb, Zr and Y diborides

I. R. Shein, K. I. Shein, N. I. Medvedeva +1