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pro vyhledávání: '"Bannikov, V. V."'
Autor:
Bannikov, V. V., Shein, I. R.
The comparative study of structural, electronic properties, topology of the Fermi surface, and the features of chemical bonding in layered 1111-oxyarsenides LaRhAsO and LaIrAsO has been performed based on the results of ab initio modeling of their el
Externí odkaz:
http://arxiv.org/abs/1904.08158
Autor:
Bannikov, V. V.
Publikováno v:
Materials Chemistry and Physics, 171 (2016) 119-125
The structural, elastic, magnetic properties, as well as electronic structure and chemical bonding picture of new oxide 3d1-perovskite BaVO3, recently synthesized, were systematically investigated involving the first-principles FLAPW-GGA calculations
Externí odkaz:
http://arxiv.org/abs/1411.5128
Autor:
Bannikov, V. V., Ivanovskii, A. L.
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 show that replacements of chalcogens (S -> Se -> Te) lead to anisotrop
Externí odkaz:
http://arxiv.org/abs/1302.1661
First-principles FLAPW-GGA band structure calculations were employed to examine the structural, electronic properties and the chemical bonding picture for four ZrCuSiAs-like Th-based quaternary pnictide oxides ThCuPO, ThCuAsO, ThAgPO, and ThAgAsO. Th
Externí odkaz:
http://arxiv.org/abs/1104.3434
Using the ab initio FLAPW-GGA method we examine the electronic and magnetic properties of nitrogen-doped non-magnetic sesquioxide La2O3 emphasizing the role of doping sites in the occurrence of d0-magnetism. We predict the magnetization of La2O3 indu
Externí odkaz:
http://arxiv.org/abs/1012.1108
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 successfully synthesized, and their potential technological applications
Externí odkaz:
http://arxiv.org/abs/1011.3932
We assumed that significant enlargement of the functional properties of the family of quaternary ZrCuSiAs-like pnictide-oxides, often called also as 1111 phases, which are known now first of all as parent phases for new FeAs superconductors, may be a
Externí odkaz:
http://arxiv.org/abs/1008.0250
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 (ZB) and cooperite PtS-like structures with CNs = 4; cubic rock-salt (RS
Externí odkaz:
http://arxiv.org/abs/1001.3530
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Full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential has been applied for the study of structural, elastic and electronic properties of the newly synt
Externí odkaz:
http://arxiv.org/abs/0811.4249