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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/14213
Title: Orbital order in NaTiO 2: A first principles study
Authors: Dhariwal M.
Maitra, Tulika
Singh I.
Koley S.
Taraphder A.
Published in: Solid State Communications
Abstract: The debate over the orbital order in the layered triangular lattice system NaTiO 2 has been rekindled by the recent experiments of McQueen et al. [Phys. Rev. Lett. 101 (2008) 166402] on NaVO 2. In view of this, the nature of orbital ordering, in both high and low temperature phases, is studied using an ab-initio electronic structure calculation. The orbital order observed in our calculations in the low temperature structure of NaTiO 2 is consistent with the predictions of McQueen et al. An LDA plus dynamical mean-field calculation shows considerable transfer of spectral weight from the Fermi level but no metal-insulator transition, confirming the poor metallic behavior observed in transport measurements. © 2012 Elsevier Ltd. All rights reserved.
Citation: Solid State Communications (2012), 152(20): 1912-1916
URI: https://doi.org/10.1016/j.ssc.2012.07.023
http://repository.iitr.ac.in/handle/123456789/14213
Issue Date: 2012
Keywords: C. Triangular lattice
D. Orbital order
D. Structural transition
ISSN: 381098
Author Scopus IDs: 55329927700
7004183343
57206594996
57196347609
6602698909
Author Affiliations: Dhariwal, M., Department of Physics, Indian Institute of Technology, Roorkee 247667, Uttarakhand, India
Maitra, T., Department of Physics, Indian Institute of Technology, Roorkee 247667, Uttarakhand, India
Singh, I., Department of Physics, Indian Institute of Technology, Roorkee 247667, Uttarakhand, India
Koley, S., Department of Physics, Centre for Theoretical Studies, Indian Institute of Technology, Kharagpur 721 302, India
Taraphder, A., Department of Physics, Centre for Theoretical Studies, Indian Institute of Technology, Kharagpur 721 302, India, School of Basic Sciences, Indian Institute of Technology, Mandi 175001, HP, India
Funding Details: This work is supported by the DST (India) fast track project (Grant no: SR/FTP/PS-74/2008 ). T.M. acknowledges T. Nautiyal for useful discussions. S.K. acknowledges CSIR (India) for a research fellowship.
Corresponding Author: Taraphder, A.; Department of Physics, Centre for Theoretical Studies, Indian Institute of Technology, Kharagpur 721 302, India; email: arghya@phy.iitkgp.ernet.in
Appears in Collections:Journal Publications [PH]

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