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- 저자 : Yoshiro Kakehashi (검색결과 2 건)
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Nonlocal Excitations and 1/8 Singularity in Cuprates
Yoshiro Kakehashi,M. Atiqur R. Patoary,Sumal Chandra 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.62 No.12
Momentum-dependent excitation spectra of the two-dimensional Hubbard model on a squarelattice have been investigated at zero temperature on the basis of the full self-consistent projectionoperator method in order to clarify nonlocal effects of electron correlations on the spectra. Intersiteantiferromagnetic correlations are found to cause shadow bands and enhance the Mott-Hubbardsplittings near the half-filling. Furthermore, nonlocal excitations are shown to move the criticaldoping concentration δh , at which the singular quasiparticle peak is located just on the Fermi level,from δh = 0.153 (the single-site value) to δh = 0.123. The latter suggests the occurrence of aninstability such as the stripe at δh = 1/8.
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First-principles Molecular-dynamics Study on the Magnetic Structure of Mn3Pt
Takashi Uchida,Nobuyuki Kimura,Yoshiro Kakehashi 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.62 No.12
A first-principles molecular-dynamics (MD) approach to the magnetic structure of itinerant magnetsis proposed and applied to the magnetic structure of Mn3Pt, which is a three-dimensionalfrustrated magnet with an octahedral configuration of Mn local magnetic moments and exhibitstwo ordered phases at temperatures below the N´eel temperature. The theory is formulated byincorporating the first-principles tight-binding linear muffin-tin orbital Hamiltonian into the MDapproach for itinerant magnets on the basis of the functional integral method and the isothermal MDtechnique, and determines automatically the magnetic structures of itinerant magnets at finite temperatures. Numerical results at 25 K for a 3×3×3 fcc unit cell reveal a triangular-type noncollinearmagnetic structure, which is consistent with the experimentally-proposed magnetic structure of thelow-temperature-ordered phase (D-phase). With increasing temperature in the D-phase region, theamplitude and the thermal average of Mn local moments were found to decrease gradually. The stabilityof the experimentally-suggested magnetic structure of the higher-temperature-ordered phase(F-phase) in Mn3Pt is discussed on the basis of the nonmagnetic ground-state density of states,which shows a sharp sub-peak consisting of the Eg states of Mn at the Fermi energy.
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