Orbital-driven spin-singlet formation in NaTiSi2O6

T. Shirakawa; Y. Ohta; T. Mizokawa

doi:10.1063/1.2355080

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 proceeding › Conference contribution

Abstract

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 language	English
Title of host publication	LOW TEMPERATURE PHYSICS
Subtitle of host publication	24th International Conference on Low Temperature Physics - LT24
Pages	1083-1084
Number of pages	2
DOIs	https://doi.org/10.1063/1.2355080
Publication status	Published - 2006 Dec 1
Externally published	Yes
Event	LOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24 - Orlando, FL, United States Duration: 2006 Aug 10 → 2006 Oct 17

Publication series

Name	AIP Conference Proceedings
Volume	850
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Other

Other	LOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24
Country/Territory	United States
City	Orlando, FL
Period	06/8/10 → 06/10/17

Keywords

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

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1063/1.2355080

Cite this

Shirakawa, T, Ohta, Y & Mizokawa, T 2006, Orbital-driven spin-singlet formation in NaTiSi₂O₆. in LOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24. AIP Conference Proceedings, vol. 850, pp. 1083-1084, LOW TEMPERATURE PHYSICS: 24th International Conference on Low Temperature Physics - LT24, Orlando, FL, United States, 06/8/10. https://doi.org/10.1063/1.2355080

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abstract = "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.",

keywords = "DMRG, Hartree-Fock calculation, NaTiSiO, Orbital ordering, Perturbation theory, Pyroxene, Spin singlet",

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N2 - 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.

AB - 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.

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