Comment on ``Sodium Pyroxene NaTiSi$_2$O$_6$: Possible Haldane Spin-1 Chain System''

S. V. Streltsov; O. A. Popova; D. I. Khomskii

doi:10.1103/PhysRevLett.96.249701

Comment on ``Sodium Pyroxene NaTiSi$_2$O$_6$: Possible Haldane Spin-1 Chain System''

Strongly Correlated Electrons 2007-05-23 v2

Authors: S. V. Streltsov , O. A. Popova , D. I. Khomskii

View on arXiv ↗ PDF ↗ DOI ↗

Abstract

Magnetic and electronic properties of NaTiSi $_2$ O $_6$ in low temperature phase were studied in the framework of the LDA+U approximation. We stress that neglecting correlation effects in LSDA calculations one obtains not only several times smaller value of the band gap, but also fails to describe magnetic properties of NaTiSi $_2$ O $_6$ . Our LDA+U results confirm formation of singlet Ti-Ti dimers in low temperature phase of NaTiSi $_2$ O $_6$ driven by corresponding orbital ordering [J. Phys. Soc. Jpn. 71, 1423 (2002)], but strongly disagree with the LSDA results and interpretations of Phys. Rev. Lett. 93, 036401 (2004).

Keywords

Haldane spin chain NaTiSi$_2$O$_6$ LDA+U approximation orbital ordering singlet dimer

Cite

@article{arxiv.cond-mat/0512195,
  title  = {Comment on ``Sodium Pyroxene NaTiSi$_2$O$_6$: Possible Haldane Spin-1 Chain System''},
  author = {S. V. Streltsov and O. A. Popova and D. I. Khomskii},
  journal= {arXiv preprint arXiv:cond-mat/0512195},
  year   = {2007}
}

Comments

1 table. Submitted to Phys. Rev. Lett. as a Comment

Related papers

View all related →