Structural, elastic, electronic and magnetic properties of the transition metals based perovskites SrTMO 3 (TM=Mn, Fe, Co, Tc, Ru, Rh, Re, Os, Ir) are investigated using advanced exchange-correlation methods based on density functional theory (DFT). The calculated structural parameters are ...
Adhikari Narayan PrasadBibechanaPandey, S.; Kaphle, G. C. and Adhikari, N. P. (2014). Electronic structure and magnetic properties of bulk elements (Fe and Pd) and ordered binary alloys (FePd and Fe3Pd):TB- LMTO Approach. BIBECHANA, 11: 60....
Zhang Zhenhua , Peng Jingcui. The electronic structure and magnetic properties of chiral toroidal carbon nanotubes [J ] . Acta Physica Sini2 ca , 2001 ,50 (6) :1150.ZHANG ZHEN\|HUA 1)2) PENG JING CUI 1) CHEN XIAO HUA 1) ZHANG HUA 2) 1) (Department of Applied Physics,Hunan ...
Electronic Structure and Magnetic Properties of Penta-Graphene Nanoribbons: Configurations and Adsorption Effects We investigated the stability, electronic structure, and magnetic properties of three different of penta-graphene nanoribbon (PGNR) geometries using densit... M Balvasi,A Avazpour,J Jalilian,...
The electronic structure and magnetic properties of ${\mathrm{Mn}}_{2}\mathrm{As}$ are studied by using the self-consistent tight-binding linear muffin-tin orbital method. Different spin-ordering configurations are considered. It is found that the ground state of ${\mathrm{Mn}}_{2}\mathrm...
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is found to be remarkably long ranged and intimately connected to ...
Electronic structure and magnetic properties of YM2 compounds (M=Mn, Fe, Co and Ni) The electronic structures of itinerant de electrons in the intermetallic compounds YMn2, YFe2, YCo2 and YNi2 with cubic Laves-phase structure are calculated using both the recursion method and the standard ...
The electronic structure and magnetic properties of the transition-metal(TM) atoms(Sc–Zn, Pt and Au) doped zigzag GaN single-walled nanotubes(NTs) are investigated using first-principles spin-polarized density functional calculations. Our results show that the bindings of all TM atoms are stable ...
Based on first-principles spin-polarized density functional theory calculations, the electronic and magnetic properties of nitrogen-doped monoclinic β-phase gallium oxide are investigated. Calculations predict that the spin-polarized state is stable with a magnetic moment of about 1.0 μB per nitrogen-...
Electronic structure and magnetic properties of Fe_(0.125)Sn_(0.875)O_2 The electronic structure of Fe-doped SnO_2 is systematically investigated by means of first-principles calculations. A ferrimagnetic exchange interaction b... SJ Hu,SS Yan,XX Yao,... - 《Physical Review B Condensed Matter...