Orbital ordering and spin-singlet formation in a pyroxene compound NaTiSi2O6

T. Shirakawa*, Y. Ohta, T. Mizokawa

*この研究の対応する著者

研究成果: Article査読

4 被引用数 (Scopus)

抄録

We analyse the ground state of the one-dimensional Ti-O network of NaTiSi2O6. First, we make the Hartree-Fock calculation of the original d-p model and obtain the ground-state phase diagram. We find that the orbital ferro and spin antiferro state is realized when the effect of lattice distortion is taken into account. We derive the effective spin-pseudospin Hamiltonian by the perturbation theory up to the fourth order of hoppings and its ground state is calculated by the density matrix renormalization (DMRG) method. We find that without the effect of distortion the orbital ordering occurs and the system is in the state of spin singlet, which indicates that the spin fluctuation plays an essential role in this phase transition.

本文言語English
ページ(範囲)1056-1057
ページ数2
ジャーナルPhysica B: Condensed Matter
378-380
SPEC. ISS.
DOI
出版ステータスPublished - 2006 5月 1
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学
  • 電子工学および電気工学

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