Orbital disorder and ordering in NaTiSi2O6: 29Si and 23Na NMR study

Orbital disorder and ordering in : and NMR study | Phys. Rev. B Skip to Main Content All Journals Physics Magazine search icon Article Lookup user icon Sign in search icon Article Lookup user icon Sign in user icon Sign in All Journals Physics Magazine Highlights Recent Accepted Collections Authors Referees Editorial Policies Press About Editorial Team RSS Physical Review B Highlights Recent Accepted Collections Authors Referees Editorial Policies Press About Editorial Team RSS Export citation Close icon Export citation Choose format for download: BibTeX EndNote (RIS) Download Citation Orbital disorder and ordering in NaTiSi 2 O 6 : Si 29 and Na 23 NMR study Ivo Heinmaa 1,* , Riho Rästa 1 , Harlyn J. Silverstein 2 , Christopher R. Wiebe 2,3 , and Raivo Stern 1,† open icon close icon 1 Department of Chemical Physics, National Institute of Chemical Physics and Biophysics, Akadeemia tee 23, 12618 Tallinn, Estonia 2 Department of Chemistry, University of Manitoba, Winnipeg, Manitoba, R3T 2N2, Canada 3 Department of Chemistry, University of Winnipeg, Winnipeg, Manitoba, R3B 2E9 Canada * ivo.heinmaa@kbfi.ee † raivo.stern@kbfi.ee PDF Share open icon close icon X Facebook Mendeley LinkedIn Reddit Sina Weibo Phys. Rev. B 106 , 075429 – Published 29 August, 2022 DOI: https://doi.org/10.1103/PhysRevB.106.075429 Export Citation Show metrics Hide metrics open icon close icon Abstract NaTiSi 2 O 6 is an exemplary compound, showing an orbital assisted spin-Peierls phase transition at T c = 210 K. We present the results of Si 29 and Na 23 nuclear magnetic resonance (NMR) measurements of NaTiSi 2 O 6 . The use of magic angle spinning (MAS) techniques unambiguously shows that only one dynamically averaged silicon site can be seen at T > T c . At cooling, the Si 29 MAS NMR spectrum shows interesting changes. Immediately below T c , the spectrum gets very broad. Cooling further, it shows two broad lines of unequal intensities which become narrower as the temperature decreases. Below 70 K, two narrow lines have chemical shifts that are typical for diamagnetic silicates. The hyperfine couplings for the two sites are H 29 hf = 7.4 kOe/ μ B and 4.9 kOe/ μ B . In the paramagnetic state at high temperature, the spin-lattice relaxation of Si 29 was found to be weakly temperature dependent. Below T c the Arrhenius-type temperature dependence of the relaxation rate indicates an energy gap Δ / k B = 1000 ( 50 ) K. In the temperature region from 120 to 300 K, the relaxation rate was strongly frequency dependent. At room temperature, we found a power law dependence T 1 − 1 ∝ ω L − 0.65 ( 5 ) . For 70 K < T < 120 K, the relaxation appeared to be nonexponential, which we assigned to a relaxation due to fixed paramagnetic centers. Simulation of the magnetization recovery curve showed activation type temperature dependence of the concentration of these centers. The NMR spectrum of Na 23 shows the line with typical shape for the central transition of a quadrupolar nucleus. A small frequency shift of Na 23 resonance corresponds to a very small hyperfine coupling H 23 hf = 0.32 kOe/ μ B . In addition, at T > T c the Na 23 spectrum shows another Lorentzian shaped resonance which we attribute to the Na sites where the quadrupolar coupling is partly averaged by ionic motion. locked icon locked icon locked icon locked icon locked icon Close Prev Next View figure in article locked icon locked icon locked icon locked icon locked icon Physics Subject Headings (PhySH) Magnetic phase transitions Magnetic susceptibility Orbital order Peierls transition Spin dynamics Spin-singlet pairing Structural phase transition Transition temperature Authorization Required We need you to provide your credentials before accessing this content. Log in via your institution If your institution provides access using Shibboleth/OpenAthens log in. Log in via APS Member Subscription If you have a personal subscription through your APS membership please log in. Starting August 1, 2019 APS member subscribers will need to log in using your member credentials instead of your APS Journal Account. APS Member Log In Other Options Buy Article » Log in with APS Journals Account Log in with username/password provided by your institution Get access through a U.S. public or high school References (Subscription Required) Outline Information Abstract Article Text References Phys. Rev. B 106 , 075429 – Published 29 August, 2022 Vol. 106, Iss. 7 — 15 August 2022 Received 11 May 2022 Revised 10 July 2022 Accepted 15 July 2022 Export Citation Reuse & Permissions DOI: https://doi.org/10.1103/PhysRevB.106.075429 ©2022 American Physical Society Outline Information Outline Abstract Article Text References Information Phys. Rev. B 106 , 075429 – Published 29 August, 2022 Vol. 106, Iss. 7 — 15 August 2022 Received 11 May 2022 Revised 10 July 2022 Accepted 15 July 2022 Export Citation Reuse & Permissions DOI: https://doi.org/10.1103/PhysRevB.106.075429 ©2022 American Physical Society open icon close icon News Join APS Authors open icon close icon General Information Submit a Manuscript Publication Rights Open Science Policies & Practices Tips for Authors Professional Conduct Reviewers open icon close icon General Information Submit a Report Update Your Information Policies & Practices Reviewer FAQ Guidelines for Reviewers Outstanding Referees Librarians open icon close icon General Information Subscriptions Online License Agreement Usage Statistics Your Account Students open icon close icon Physics PhysicsCentral Student Membership Connect open icon close icon Privacy Policies Contact Information Feedback News Join APS Authors General Information Submit a Manuscript Publication Rights Open Science Policies & Practices Tips for Authors Professional Conduct Reviewers General Information Submit a Report Update Your Information Policies & Practices Reviewer FAQ Guidelines for Reviewers Outstanding Referees Librarians General Information Subscriptions Online License Agreement Usage Statistics Your Account Students Physics PhysicsCentral Student Membership Connect Privacy Policies Contact Information Feedback ISSN 2469-9969 (online), 2469-9950 (print). ©2026 American Physical Society. 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