Quasi-one-dimensional uniform spin-12 Heisenberg antiferromagnet KNaCuP2O7 probed by P31 and Na23 NMR

Guchhait, S.; Ding, Qing-Ping; Sahoo, M.; Giri, A.; Maji, S.; Furukawa, Y.; Nath, R.

doi:10.1103/physrevb.103.224415

Title: Quasi-one-dimensional uniform spin- $\frac{1}{2}$ Heisenberg antiferromagnet ${KNaCuP}_{2} O_{7}$ probed by ${}_{31}P$ and ${}_{23}{Na}$ NMR

Journal Article · Mon Jun 14 00:00:00 EDT 2021 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.103.224415· OSTI ID:1798870

Guchhait, S. ^[1];

^[2]; Sahoo, M. ^[3]; Giri, A. ^[4]; Maji, S. ^[4];

^[2];

^[1]

Indian Institute of Science Education and Research, Thiruvananthapuram (India)
Ames Lab., and Iowa State Univ., Ames, IA (United States)
University of Kerala, Kariavattom (India)
Indian Association for the Cultivation of Science, Kolkata (India)

Here we present the structural and magnetic properties of ${KNaCuP}_{2} O_{7}$ investigated via x-ray diffraction, magnetization, specific heat, and ${}_{31}P$ and ${}_{23}{Na}$ NMR measurements and complementary electronic structure calculations. The temperature-dependent magnetic susceptibility and ${}_{31}P$ NMR shift could be modeled very well by the uniform spin- $\frac{1}{2}$ Heisenberg antiferromagnetic chain model with a nearest-neighbor interaction $J / k_{B} ≃ 58.7 K$ . The corresponding mapping using first-principles electronic structure calculations leads to $J^{DFT} / k_{B} ≃ 59 K$ with negligibly small interchain couplings, further confirming that the system is indeed a one-dimensional uniform spin- $\frac{1}{2}$ Heisenberg antiferromagnet. The diverging trend of NMR spin-lattice relaxation rates $({}_{31}{1 / T}_{1} and {}_{23}{1 / T}_{1})$ implies the onset of a magnetic long-range ordering at around $T_{N} ≃ 1 K$ . From the value of $T_{N}$ , the average interchain coupling is estimated to be $J^{'} / k_{B} ≃ 0.28 K$ . Moreover, the NMR spin-lattice relaxation rates show the dominant contributions from uniform $(q = 0)$ and staggered $(q = \pm π / a)$ spin fluctuations in the high- and low-temperature regimes, respectively, mimicking one-dimensionality of the spin lattice. We have also demonstrated that ${}_{31}{1 / T}_{1}$ in high temperatures varies linearly with $1 / \sqrt{H}$ , reflecting the effect of spin diffusion on the dynamic susceptibility. The temperature-dependent unit cell volume could be described well using the Debye approximation with a Debye temperature of $Θ_{D} ≃ 294 K$ , consistent with the heat capacity data.

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Research Organization:: Ames Lab., Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Bhabha Atomic Research Center, India (BRNS); Science and Engineering Research Board, India (SERB)

Grant/Contract Number:: AC02-07CH11358; 37(3)/14/26/2017-BRNS; EMR/2016/005925

OSTI ID:: 1798870

Report Number(s):: IS-J-10,519; TRN: US2210761

Journal Information:: Physical Review B, Vol. 103, Issue 22; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Quasi-one-dimensional uniform spin- $\frac{1}{2}$ Heisenberg antiferromagnet ${KNaCuP}_{2} O_{7}$ probed by ${}_{31}P$ and ${}_{23}{Na}$ NMR