Orbital-driven spin-singlet formation in NaTiSi2O6

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

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution


A Ti-oxide compound in the pyroxene family NaTiSi2O6 containing a one-dimensional Ti-O network exhibits a phase transition at T=210K, for which it has been anticipated that the spin-singlet formation is driven by the orbital ordering. We develop a theory that describes the mechanism of this phase transition. We use the Hartree-Fock approximation to the multiband d-p model and derive the groundstate phase diagram in the parameter space. We also use the perturbation theory in the strong correlation limit up to the fourth order of electron hoppings to derive the effective spin-orbital Hamiltonian. We then apply the density-matrix renormalization group method to the derived Hamiltonian and obtain the groundstate phase diagram. Experimental relevance of our results is discussed.

Original languageEnglish
Title of host publicationLOW TEMPERATURE PHYSICS
Subtitle of host publication24th International Conference on Low Temperature Physics - LT24
Number of pages2
Publication statusPublished - 2006 Dec 1
Externally publishedYes
EventLOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24 - Orlando, FL, United States
Duration: 2006 Aug 102006 Oct 17

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


OtherLOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24
Country/TerritoryUnited States
CityOrlando, FL


  • DMRG
  • Hartree-Fock calculation
  • NaTiSiO
  • Orbital ordering
  • Perturbation theory
  • Pyroxene
  • Spin singlet

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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