The electronic configuration of Fe in -FeSi2Marco FanciulliC O Rodriguez
The experimental results obtained by 0953-8984/9/7/023/img10 conversion electron Mössbauer spectroscopy on the electronic configuration of Fe in 0953-8984/9/7/023/img11 are discussed in the light of ab initio full-potential linear muffin-tin orbital calculations of the isomer shift 0953-8984...
The iron atoms at the two sites have distinct geometric features, as revealed in their molecular structures, and distinct electronic structures, as shown by Mssbauer spectroscopy, although both are high spin (S = 2). The molecule with the external hydrogen bond has longer equatorial FeNp bonds...
Determine if the given electronic configuration is correct for the species indicated. Fe3+ [Ar]3d5 Determine if the given electronic configuration is correct for the species indicated. La [Ar]6s24f1 Write the full electron configuration of As. ...
It is well known that the configuration of valence electrons is 2s 22p 2 for free C atom. The introduction of a carbon atom in iron clusters can undoubtedly change configuration of valence electrons. From Table 1, we find that the 2p state gains some amount of electrons. However, the 2s ...
The electronic configuration of the Fe center in the HS-1, LS-1, and LIESST (HS-2) states were further confirmed by Fe K- and L-edge absorption spectroscopy. In addition, the C≡N stretching frequency on the ligand can also be followed through the spin transition. The excitation and ...
The diatomic neutral oxides and their ions, MO(0,+/-), M = Sc, Ti, Cr, and Mn, have been studied through multireference configuration interaction and coupl... E Miliordos,A Mavridis - 《Journal of Physical Chemistry A》 被引量: 46发表: 2010年 3D structure design and reliability analys...
Ab initio calculations have been performed on several ultrathin Fe/Cr/Fe trilayer systems in ferromagnetic configuration, with a fixed width of the spacer chromium slab of three atomic monolayers, and both iron slabs symmetrically varying in a range from 1 to 6 atomic monolayers. We have ...
were investigated by a pump and probe method because of its relatively fast relaxation. The electronic configuration of the Fe center in the HS-1, LS-1, and LIESST (HS-2) states were further confirmed by Fe K- and L-edge absorption spectroscopy. In addition, the C[triple bond]N stretch...
The results are found to be sensitive to the initial choice of the spin configuration. For example, the greigite structure remains cubic when the spin configuration was initialized with all the octahedral Fe sites having the same spin. In this case, the ground state is half-metallic and is ...