ELECTRONIC STRUCTURE, CHEMICAL BONDING, AND PHASE STABILITY OF THORIUM BORIDES ThB4, ThB6 AND ThB12 von Shein, I. R.

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The influence of strontium deficiency on thermodynamics of defect formation, structural stability and electrical transport of SrFe0.5Ta0.5O3−δ-based solid solutions with an excess... von Politov, B V, Waerenborgh, J C, Shein, I R, Merkulov, O V

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Pressurized Phase Transitions Cascade in BaMn2P2 and BaMn2As2 von Pavlov, N. S., Shein, I. R., Nekrasov, I. A.

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Elastic properties of quaternary oxypnictides LaOFeAs and LaOFeP as basic phases for new 26–52 K superconducting materials from first principles von Shein, I.R., Ivanovskii, A.L.

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Electronic Structure, Mechanical and Dynamical Stability of Hexagonal Subcarbides M2C (M = Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt): Ab Initio Calculations von Suetin, D. V., Shein, I. R.

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Anatomy of the Band Structure of the Newest Apparent Near-Ambient Superconductor LuH3 –xNx von Pavlov, N. S., Shein, I. R., Pervakov, K. S., Pudalov, V. M., Nekrasov, I. A.

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Electronic Structure of InCo2As2 and KInCo4As4: LDA + DMFT von Pavlov, N. S., Shein, I. R., Pervakov, K. S., Nekrasov, I. A.

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Structural, electronic and magnetic properties of η carbides (Fe 3W 3C, Fe 6W 6C, Co 3W 3C and Co 6W 6C) from first principles calculations von Suetin, D.V., Shein, I.R., Ivanovskii, A.L.

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Electronic structure, chemical bonding and elastic properties of the first thorium-containing nitride perovskite TaThN3 von Bannikov, V. V., Shein, I. R., Ivanovskii, A. L.

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Stability, structural, elastic, and electronic properties of polymorphs of the superconducting disilicide YIr2Si2 von SHEIN, I. R

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Elastic, electronic properties and intra-atomic bonding in orthorhombic and tetragonal polymorphs of BaZn2As2 from first-principles calculations von Shein, I.R., Ivanovskii, A.L.

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Deformation and vibration of a spiral spring von Chen, Jen-San, Chen, I-Shein

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Electronic and structural properties of cementite-type M3X (M = Fe, Co, Ni; X = C or B) by first principles calculations von SHEIN, I. R, MEDVEDEVA, N. I, IVANOVSKII, A. L

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Ab initio thermodynamic characteristics of the formation of oxygen vacancies, and boron, carbon, and nitrogen impurity centers in anatase von Zhukov, V. P., Shein, I. R.

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Elastic and electronic properties and stability of SrThO3, SrZrO3 and ThO2 from first principles von Shein, I R, Shein, K I, Ivanovskii, A L

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RHOMBOHEDRAL NIOBIUM MONOXIDE: THEORETICALLY PREDICTED HIGH- PRESSURE PHASE NbO von Popov, I. S., Shein, I. R., Valeeva, A. A., Enyashin, A. N.

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Elastic properties of antiperovskite-type Ni-rich nitrides MNNi3 (M=Zn, Cd, Mg, Al, Ga, In, Sn, Sb, Pd, Cu, Ag and Pt) as predicted from first-principles calculations von BANNIKOV, V. V, SHEIN, I. R, IVANOVSKII, A. L

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Structural, elastic, electronic properties and Fermi surface for superconducting Mo2GaC in comparison with V2GaC and Nb2GaC from first principles von SHEIN, I. R, IVANOVSKII, A. L

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First-principle study of B1-like thorium carbide, nitride and oxide von Shein, I.R., Shein, K.I., Ivanovskii, A.L.

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Li- and Na-doped bismuth titanate pyrochlores: From the point of view ab initio calculation and experiment von Krasnov, A.G., Koroleva, M.S., Piir, I.V., Shein, I.R.

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