Erratum: Quantum critical dynamics of an<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>S</mml:mi><mml:mo>=</mml:mo><mml:mstyle scriptlevel="1"><mml:mfrac bevelled="false"><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mstyle></mml:mrow></mml:math>antiferromagnetic Heisenberg chain studied by<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mmultiscripts><mml:mi mathvariant="normal">C</mml:mi><mml:mprescripts /><mml:none /><mml

Kühne, H.; Klauss, H.-H.; Grossjohann, S.; Brenig, Wilhelm; Litterst, F. J.; Reyes, A. P.; Kuhns, P.; Turnbull, Mark M.; Landee, C. P.

doi:10.1103/physrevb.81.249902

Cited by 21 publications

(33 citation statements)

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“…4, which nicely reproduces the mysteriously strong divergent behavior o f /" near Tc. Our findings are similar to earlier reports on quasi-ID materials with the TLL behavior [13][14][15][19][20][21]25,26], The observed value of y = 0.25 in the present case suggests that the electron-electron interactions are repulsive, and the dominant channel of the spin correlations is antiferromagnetic for the wave vector 2kF [13], Our conclusion is consistent with the large antiferromagnetic exchange coupling ~1000 K expected for nearest-neighbor Cr-Cr spins along the DWST [37]. We call for additional experimental tests of the TLL behavior of the DWSTs in K2Cr3As3 based on Angle Resolved Photo Emission Spectroscopy and other techniques.…”

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confidence: 93%

“…Past explorations of the exotic properties of the TLL focused on organic conductors (see, for example, discussions in Refs. [13][14][15] and references therein), semiconductor nano structures [16], carbon nanotubes [17][18][19][20][21], and their super conductivity [22,23], or quasi-ID Heisenberg model systems [24][25][26]. Does the [Cr3As3]00 DWST in K2Cr3As3 indeed exhibit the signatures expected for the TLL above TC 1 If so, is the superconducting state below Tc also exotic?…”

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confidence: 99%

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NMR Investigation of the Quasi-One-Dimensional SuperconductorK2Cr3As3

et al. 2015

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We report ^{75}As NMR measurements on the new quasi-one-dimensional superconductor K_{2}Cr_{3}As_{3} (T_{c}∼6.1 K) [J. K. Bao et al., Phys. Rev. X 5, 011013 (2015)]. We found evidence for strong enhancement of Cr spin fluctuations above T_{c} in the [Cr_{3}As_{3}]_{∞} double-walled subnanotubes based on the nuclear spin-lattice relaxation rate 1/T_{1}. The power-law temperature dependence, 1/T_{1}T∼T^{-γ} (γ∼0.25), is consistent with the Tomonaga-Luttinger liquid. Moreover, absence of the Hebel-Slichter coherence peak of 1/T_{1} just below T_{c} suggests an unconventional nature of superconductivity.

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confidence: 93%

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confidence: 99%

NMR Investigation of the Quasi-One-Dimensional SuperconductorK2Cr3As3

et al. 2015

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“…This behavior has been experimentally observed, for example, in the Heisenberg chain compound copper pyrazine in Ref. [48] and discussed in Ref. [49].…”

Section: A Heisenberg Modelmentioning

confidence: 77%

Temperature dependence of the NMR spin-lattice relaxation rate for spin-12chains

et al. 2016

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We use recent developments in the framework of a time-dependent matrix product state method to compute the nuclear magnetic resonance relaxation rate 1/T 1 for spin-1/2 chains under magnetic field and for different Hamiltonians (XXX, XXZ, isotropically dimerized). We compute numerically the temperature dependence of the 1/T 1 . We consider both gapped and gapless phases, and also the proximity of quantum critical points. At temperatures much lower than the typical exchange energy scale, our results are in excellent agreement with analytical results, such as the ones derived from the Tomonaga-Luttinger liquid (TLL) theory and bosonization, which are valid in this regime. We also cover the regime for which the temperature T is comparable to the exchange coupling. In this case analytical theories are not appropriate, but this regime is relevant for various new compounds with exchange couplings in the range of tens of Kelvin. For the gapped phases, either the fully polarized phase for spin chains or the low-magnetic-field phase for the dimerized systems, we find an exponential decrease in /(k B T ) of the relaxation time and can compute the gap . Close to the quantum critical point our results are in good agreement with the scaling behavior based on the existence of free excitations.

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“…Cu(pyz)(NO 3 ) 2 has been chosen because it provides a good experimental realisation of the S = 1/2 1D antiferromagnetic Heisenberg model [14,15]. As a result, its magnetic [11,[14][15][16][17][18], spin-dynamic [19][20][21][22][23][24], thermal [25,26], and vibrational [27,28] properties have been the subject of experimental and theoretical investigation. Cu(pyz)(NO 3 ) 2 in a coordination polymer consisting of a crystalline arrangement of chains of Cu 2+ ions linked by pyrazine (pyz) ligands parallel to the a axis of its unit cell, where each Cu 2+ ion is also bonded to a pair of nitrate ions, illustrated in Fig.…”

Section: Introductionmentioning

confidence: 99%

Exchange constants in molecule-based magnets derived from density functional methods

2017

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Cu(pyz)(NO3)2 is a quasi one-dimensional molecular antiferromagnet that exhibits three dimensional long-range magnetic order below TN = 110 mK due to the presence of weak inter-chain exchange couplings. Here we compare calculations of the three largest exchange coupling constants in this system using two techniques based on plane-wave basis-set density functional theory: (i) a dimer fragment approach and (ii) an approach using periodic boundary conditions. The calculated values of the large intrachain coupling constant are found to be consistent with experiment, showing the expected level of variation between different techniques and implementations. However, the interchain coupling constants are found to be smaller than the current limits on the resolution of the calculations. This is due to the computational limitations on convergence of absolute energy differences with respect to basis set, which are larger than the inter-chain couplings themselves. Our results imply that errors resulting from such limitations are inherent in the evaluation of small exchange constants in systems of this sort, and that many previously reported results should therefore be treated with caution.

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Erratum: Quantum critical dynamics of anS=12antiferromagnetic Heisenberg chain studied byC

Cited by 21 publications

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NMR Investigation of the Quasi-One-Dimensional SuperconductorK2Cr3As3

NMR Investigation of the Quasi-One-Dimensional SuperconductorK2Cr3As3

Temperature dependence of the NMR spin-lattice relaxation rate for spin-12chains

Exchange constants in molecule-based magnets derived from density functional methods

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