We have constructed a LDA+DMFT method in the framework of the iterative perturbation theory with local density approximation (full-LDA) Hamiltonian without mapping onto the effective Wannier orbitals. We then apply th...
We have constructed a LDA+DMFT method in the framework of the iterative perturbation theory with local density approximation (full-LDA) Hamiltonian without mapping onto the effective Wannier orbitals. We then apply this LDA+DMFT method to ferromagnetic bcc Fe and fcc Ni as a test of transition metal, and to antiferromagnetic NiO as an example of transition metal oxide. In Fe and Ni, the width of occupied 3d bands is narrower than those in LDA and Ni 6 eV satellite appears. In NiO, the resultant electronic structure is of charge-transfer insulator type and the band gap is 4.3 eV. These results are in good agreement with the experimental x-ray photoemission spectroscopy. The configuration mixing and dynamical correlation effects play a crucial role in these results.
We have performed an in situ photoemission study of Pr1−xCaxMnO3 (PCMO) thin films grown on LaAlO3 (001) substrates and observed the effect of epitaxial strain on the electronic structure. We found that the chemical p...
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We have performed an in situ photoemission study of Pr1−xCaxMnO3 (PCMO) thin films grown on LaAlO3 (001) substrates and observed the effect of epitaxial strain on the electronic structure. We found that the chemical potential shifted monotonically with doping, unlike bulk PCMO, implying the disappearance of incommensurate charge fluctuations of bulk PCMO. In the valence-band spectra, we found a doping-induced energy shift toward the Fermi level (EF) but there was no spectral weight transfer, which was observed in bulk PCMO. The gap at EF was clearly seen in the experimental band dispersions determined by angle-resolved photoemission spectroscopy and could not be explained by the metallic band structure of the C-type antiferromagnetic state, probably due to localization of electrons along the ferromagnetic chain direction or due to another type of spin-orbital ordering.
We developed an angularly dispersed noncollinear optical parametric amplifier with a 300-THz bandwidth (550-1000 nm) for the first time. To the best of our knowledge, this is the broadest parametric gain.
ISBN:
(纸本)9781424435906
We developed an angularly dispersed noncollinear optical parametric amplifier with a 300-THz bandwidth (550-1000 nm) for the first time. To the best of our knowledge, this is the broadest parametric gain.
We consider the solution of complex symmetric shifted linear systems. Such systems arise in large scale electronic structure theory and there is a strong need for the fast solution of the systems. In this paper, we de...
A model for the formation of helical multishell gold nanowires is proposed and is confirmed with quantum mechanical molecular dynamics simulations. The model can explain the magic number of the helical gold nanowires ...
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A model for the formation of helical multishell gold nanowires is proposed and is confirmed with quantum mechanical molecular dynamics simulations. The model can explain the magic number of the helical gold nanowires in the multishell structure. The reconstruction from ideal nonhelical to realistic helical nanowires consists of two stages: dissociations of atoms on the outermost shell from atoms on the inner shell and slip deformations of atom rows generating (111)-like structure on the outermost shell. The elementary processes are governed by competition between energy loss and gain by s and d electrons together with the width of the d band. The possibility for the helical nanowires of platinum, silver, and copper is discussed.
A spatial light phase modulator with a high transmission> 85% (260-1100 nm) and a phase modulation capability of 53 radian at 260 nm and 12 radian at 1100 nm has been developed for the first time.
ISBN:
(纸本)9781424435906
A spatial light phase modulator with a high transmission> 85% (260-1100 nm) and a phase modulation capability of 53 radian at 260 nm and 12 radian at 1100 nm has been developed for the first time.
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