caa a22 4500 445381124 CHVBK 20180317143017.0 cr unu---uuuuu 170323e20110101xx s 000 0 eng 10.1007/s10948-010-1026-z doi (NATIONALLICENCE)springer-10.1007/s10948-010-1026-z Structural, Electronic and Magnetic Properties of Nanolayer andBulk of MnCo2Si and MnFeCoSi Compounds [Elektronische Daten] [S. Izadi, Z. Nourbakhsh] In the present work we have investigated the structural, electronic and magnetic properties of MnCo2Si and MnFeCoSi in bulk and nanolayer using density functional theory. The total energies as a function of volume are calculated and thereby the bulk modulus and their pressure derivatives are determined. The effect of atoms at the surface of these nanolayers has been analyzed using the calculated total and partial electron density of states in its ferromagnetic phase. The spin-polarized density of states show that both bulk MnCo2Si and MnFeCoSi present a half-metallicity, which is lost at their nanolayer surfaces. Furthermore, the effects of pressure on the magnetic moment of these compounds in its bulk form are investigated. Springer Science+Business Media, LLC, 2010 Half-metal nationallicence Ferromagnetic nationallicence Nanolayer nationallicence Density of states nationallicence Magnetic moment nationallicence Izadi S. Department of Physics, Faculty of Science, University of Kashan, Kashan, Iran aut Nourbakhsh Z. Department of Physics, Faculty of Science, University of Isfahan, Isfahan, Iran aut Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/1-2(2011-01-01), 825-831 1557-1939 24:1-2<825 2011 24 10948 https://doi.org/10.1007/s10948-010-1026-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10948-010-1026-z text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Izadi S. Department of Physics, Faculty of Science, University of Kashan, Kashan, Iran aut NATIONALLICENCE 700 1- Nourbakhsh Z. Department of Physics, Faculty of Science, University of Isfahan, Isfahan, Iran aut NATIONALLICENCE 773 0- Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/1-2(2011-01-01), 825-831 1557-1939 24:1-2<825 2011 24 10948 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer