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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 2011 · cond-mat.supr-conShow all

5 papers · 2 filters

cond-mat.supr-con2011★ 29 cited

Electronic and Magnetic Structure of Possible Iron Based Superconductor BaFe2Se3

M. V. Medvedev, I. A. Nekrasov, M. V. Sadovskii

We present results of LDA calculations (band structure, densities of states, Fermi surfaces) for possible iron based superconductor BaFe2Se3 (Ba123) in normal (paramagnetic) phase.…

cond-mat.supr-con2011★ 1 cited

Structural, electronic properties and Fermi surface of ThCr2Si2-type charge-balanced KFe2AsSe phase as a parent system for a new group of "mixed" pnictide-chalcogenide superconductors

Igor R. Shein, Alexander L. Ivanovskii

The ThCr2Si2-type arsenide-selenide phase KFe2AsSe is proposed as a parent system for a new "intermediate" group of Fe-based superconducting materials bridging the known families o…

cond-mat.supr-con2011★ 40 cited

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

I. R. Shein, A. L. Ivanovskii

The hexagonal phase SrPtAs (s.g. P6/mmm; #194) with a honeycomb lattice structure very recently was declared as a new low-temperature (TC ~ 4.2K) superconductor. Here by means of f…

cond-mat.supr-con2011★ 24 cited

Stability, structural, elastic and electronic properties of polymorphs of the superconducting disilicide YIr2Si2

Igor R. Shein

Using the ab initio approaches, the comparative stability, structural, elastic, and electronic properties of three polymorphs of the superconducting disilicide YIr2Si2, which diffe…

cond-mat.supr-con2011★ 12 cited

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

I. R. Shein, A. L. Ivanovskii

Very recently (November, 2010, PRB, 82, 180520R) the first 122-like ternary superconductor KxFe2Se2 with enhanced TC ~ 31K has been discovered. This finding has stimulated much act…