naa a22 4500 51081459X CHVBK 20180411083459.0 cr unu---uuuuu 180411e20130601xx s 000 0 eng 10.1134/S0031918X13060112 doi (NATIONALLICENCE)springer-10.1134/S0031918X13060112 Local deformations and chemical bonding in Fe- X ( X [Elektronische Daten] Si, Al, Ga, Ge) soft magnetic alloys [M. Petrik, Yu. Gornostyrev] Dilute alloys based on ferromagnetic bcc iron modified by 3p (Al, Si) and 4p (Ga, Ge) elements are studied using the methods of the density-functional theory. It is shown that the local deformations and solution energies depend on the position of an alloying element in the periodic system. The nature of Fe-X chemical bonding varies from weak metallic in Fe-Ga to strong quasi-covalent in Fe-Si, which determines the values of local deformations in these alloys. The formation of pairs of impurity atoms in the position of the next-nearest neighbors leads to tetragonal lattice deformations, the value of which is highest for Si and Ge. The role of local deformations in the formation of unusual magnetic properties of Fe-X alloys is discussed. Pleiades Publishing, Ltd., 2013 soft magnetic materials nationallicence iron alloys nationallicence short-range order nationallicence ab initio calculations nationallicence Petrik M. Ural Federal University, ul. Mira 19, 620002, Ekaterinburg, Russia aut Gornostyrev Yu Institute of Quantum Materials Science, Ekaterinburg, Russia aut The Physics of Metals and Metallography SP MAIK Nauka/Interperiodica 114/6(2013-06-01), 469-473 0031-918X 114:6<469 2013 114 11508 https://doi.org/10.1134/S0031918X13060112 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1134/S0031918X13060112 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Petrik M. Ural Federal University, ul. Mira 19, 620002, Ekaterinburg, Russia aut NATIONALLICENCE 700 1- Gornostyrev Yu Institute of Quantum Materials Science, Ekaterinburg, Russia aut NATIONALLICENCE 773 0- The Physics of Metals and Metallography SP MAIK Nauka/Interperiodica 114/6(2013-06-01), 469-473 0031-918X 114:6<469 2013 114 11508 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer