High energy Compton spectroscopy and electronic structure of Laves phase ZrFe2
We present the first-ever experimental Compton profile of Laves phase ZrFe 2 using
indigenous 20 Ci 137 Cs Compton spectrometer. To annotate the experimental electron
momentum density, we have calculated the theoretical Compton profiles using density
functional theory (DFT) and hybridization of Hartree–Fock and DFT within linear combination
of atomic orbitals (LCAO) method. The spin-polarized energy bands and density of states
are computed using LCAO and full potential-linearized augmented plane wave methods …
indigenous 20 Ci 137 Cs Compton spectrometer. To annotate the experimental electron
momentum density, we have calculated the theoretical Compton profiles using density
functional theory (DFT) and hybridization of Hartree–Fock and DFT within linear combination
of atomic orbitals (LCAO) method. The spin-polarized energy bands and density of states
are computed using LCAO and full potential-linearized augmented plane wave methods …
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