318 citations · 1.7k across the 70 of their papers we have counts for
70 papers
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
By means of DFT-based first-principles calculations, we examine two polymorphs of the newly synthesized 1111-like MgFeSeO as possible new superconducting systems. We have found tha…
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…
Structural, electronic properties and stability of MXenes Ti2C and Ti3C2 functionalized by methoxy groups
Andrey N. Enyashin, Alexander L. Ivanovskii
The properties of MXenes, a new group of quasi-two-dimensional d-metal carbide or nitride nanomaterials derived by chemical exfoliation from the MAX phases, can be very sensitive t…
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…
Electronic properties and Fermi surface for new Fe-free layered superconductor BaTi2Bi2O from first principles
D. V. Suetin, A. L. Ivanovskii
Very recently, as an important step in the development of layered Fe-free pnictide-oxide superconductors, the new phase BaTi2Bi2O was discovered which has the highest TC (about 4.6…
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
By means of first-principles calculations? we have probed the peculiarities of the elecrtonic band structure and Fermi surface for the recently discovered layered superconductor La…