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papers

Publications (54)

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

cond-mat.supr-con2011

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.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

cond-mat.mtrl-sci2010

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

cond-mat.supr-con2010

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

cond-mat.supr-con2009

Electronic properties of superconducting Sr4V2Fe2As2O6 versus Sr4Sc2Fe2As2O6

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2008

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-con2011

Electronic band structure, Fermi surface and elastic properties of polymorphs of new 5.2K iron-free superconductor SrPt2As2 from first principles calculations

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

cond-mat.mtrl-sci2010

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

cond-mat.supr-con2008

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

cond-mat.supr-con2002

Electronic band structure of low-temperature YB12, YB6 superconductors and layered YB2, MgB2 diborides

I. R. Shein, S. V. Okatov, N. I. Medvedeva +1

cond-mat.supr-con2008

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

cond-mat.supr-con2009

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2011

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.mtrl-sci2010

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

cond-mat.supr-con2009

Electronic properties of novel 6K superconductor LiFeP

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2008

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

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

cond-mat.supr-con2010

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

cond-mat.supr-con2001

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2011

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

cond-mat.supr-con2011

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

cond-mat.supr-con2001

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

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

cond-mat.mtrl-sci2008

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

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

cond-mat.supr-con2009

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2009

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

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2008

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2008

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

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2008

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

cond-mat.supr-con2008

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

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

cond-mat.supr-con2010

Elastic properties of superconducting MAX phases from first principles calculations

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2011

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-con2010

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2009

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

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

cond-mat.supr-con2012

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

I. R. Shein, A. L. Ivanovskii

cond-mat.mtrl-sci2010

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

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

cond-mat.mtrl-sci2010

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

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

cond-mat.supr-con2008

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

cond-mat.supr-con2009

Electronic structure of Ti-doped Sr4Sc2Fe2As2O6

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2008

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

I. R. Shein, A. L. Ivanovskii

cond-mat.supr-con2008

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

cond-mat.mtrl-sci2010

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

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

cond-mat.mtrl-sci2004

Electronic structure of silver-deficient hexagonal AgB$_2$

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

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-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-sci2008

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

cond-mat.supr-con2008

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

I. R. Shein, A. L. Ivanovskii