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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 2013Show all

7 papers · 1 filter

cond-mat.str-el2013

Pressure effect on the energy structure and superexchange interaction of the undoped orthorhombic La2CuO4: beyond the low-energy approximation

Vladimir A. Gavrichkov, Zlata V. Pchelkina, Igor A. Nekrasov +1

Using LDA+GTB multi-band approach, we studied the compression dependence of the electronic structure and in-plane superexchange interaction J(P) in the antiferromagnetic La214 at t…

cond-mat.supr-con2013★ 7 cited

Comparative Study of Electronic structure of New Superconductors (Sr,Ca)Pd2As2 and related compound BaPd2As2

I. A. Nekrasov, M. V. Sadovskii

This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and simil…

cond-mat.str-el2013★ 7 cited

Doping Dependence of Correlation Effects in K{1-x}Fe{2-y}Se2 Superconductor: LDA'+DMFT Investigation

I. A. Nekrasov, N. S. Pavlov, M. V. Sadovskii

We present detailed LDA'+DMFT investigation of doping dependence of correlation effects in novel K{1-x}Fe{2-y}Se2 superconductor. Calculations were performed at four different hole…

cond-mat.mtrl-sci2013★ 231 cited

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

3D titanium carbonitrides TiCxNy possess excellent physical, chemical, and mechanical properties, attractive for various industrial applications. Most recently, the uncommon nano-s…

cond-mat.str-el2013★ 42 cited

Melting of the orbital order in LaMnO3 probed by NMR

A. Trokiner, S. Verkhovskii, A. Gerashenko +4

The Mn spin correlations were studied near the O'-O phase transition at T{JT} = 750 K, up to 950 K with 17O and 139La NMR in a stoichiometric LaMnO3 crystalline sample. The measure…

cond-mat.mtrl-sci2013★ 3 cited

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

By means of the FLAPW-GGA approach, we have systematically studied the structural and electronic properties of tetragonal dichalcogenides KNi2Ch2 (Ch = S, Se, and Te). Our results…

cond-mat.str-el2013★ 5 cited

Effect of Eu doping and partial oxygen isotope substitution on magnetic phase transitions in (PrEu)CaCoO cobaltites

N. A. Babushkina, A. N. Taldenkov, S. V. Streltsov +6

We study experimentally and theoretically the effect of Eu doping and partial oxygen isotope substitution on the transport and magnetic characteristics and spin-state transitions i…