output
19972026
most cited2D titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2-xNx and Ti3C2-xNx(OH)2

231 citations

Showing 2010Show all

10 papers · 1 filter

cond-mat.supr-con2010★ 63 cited

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

I. R. Shein, A. L. Ivanovskii

Using the ab initio FLAPW-GGA method we examine the electronic band structure, densities of states, and the Fermi surface topology for a very recently synthesized ThCr2Si2-type pot…

cond-mat.supr-con2010★ 78 cited

Superconductivity in the iron selenide KxFe2Se2 (0 <= x <= 1)

Jiangang Guo, Shifeng Jin, Gang Wang +5

We report the superconductivity at above 30 K in a new FeSe-layer compound K0.8Fe2Se2 (nominal composition) achieved by metal K intercalating in between FeSe layers. It is isostruc…

cond-mat.mtrl-sci2010★ 42 cited

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

A. N. Enyashin, A. L. Ivanovskii

Using the density-functional-based tight-binding method we performed a systematic comparative study of stability, structural and electronic properties for 12 various types of graph…

cond-mat.supr-con2010★ 3 cited

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

Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based…

cond-mat.mtrl-sci2010★ 50 cited

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

Very recently, two new hexagonal rhenium sub-nitrides Re3N and Re2N, which belong to a rather rare group of known metal-rich (M/N > 1) nitrides of heavy 4d,5d metals, have been suc…

cond-mat.mtrl-sci2010★ 18 cited

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

Full-potential linearized augmented plane-wave method with the generalized gradient approximation for the exchange-correlation potential was applied for comparative study of elasti…

cond-mat.mtrl-sci2010★ 9 cited

Modeling of Magnetic Properties of NiCl Nanostripes, Nanotubes and Fullerenes

Andrey N. Enyashin, Alexander L. Ivanovskii

We show that the magnetic properties of antiferromagnetic layered NiCl can be altered under nano-sizing depending on dimensionality and morphology type of the corresponding n…

cond-mat.supr-con2010★ 94 cited

Elastic properties of superconducting MAX phases from first principles calculations

I. R. Shein, A. L. Ivanovskii

Using first-principles density functional calculations, a systematic study on the elastic properties for all known superconducting MAX phases (Nb2SC, Nb2SnC, Nb2AsC, Nb2InC, Mo2GaC…

physics.flu-dyn2010★ 21 cited

Oscillatory and monotonic modes of longwave Marangoni convection in a thin film

S. Shklyaev, M. Khenner, A. A. Alabuzhev

We study longwave Marangoni convection in a layer heated from below. Using the scaling , where is the wavenumber and is the Biot number, we der…

cond-mat.mtrl-sci2010★ 6 cited

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

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

First-principles calculations through a FLAPW-GGA method for six possible polymorphs of ruthenium mononitride RuN with various atomic coordination numbers CNs: cubic zinc blende (Z…