量子自旋液体候选材料的缪子自旋弛豫研究

量子自旋液体是一种新奇的磁性物态。由于极强的量子涨落，直至零温都不会出现长程序。量子自旋液体的基态不能用序参量描述，并且缺少对称性破缺，因此该物态的实现打破朗道理论的范式。对于量子自旋液体的研究有助于理解高温超导的机理，并且可以被应用在量子计算和量子信息中。目前，尽管理论上有了长足的发展，但仍旧没有任何一个材料被证实为量子自旋液体。因此，探测和确认一个真正的量子自旋液体材料是当前的研究重点。缪子自旋弛豫是一个对磁场极为敏感的实验技术，被广泛应用于量子自旋液体候选材料的研究中。该技术可以观测基态中是否存在磁有序，测量系统中的涨落频率，这两点都是表征量子自旋液体的重要性质。本文简要介绍了量子自旋液体态和缪子自旋弛豫技术，回顾了近期在不同体系的量子自旋液体候选材料中的实验结果，特别是缪子自旋弛豫的成果。这些体系包括一维反铁磁海森堡链（苯甲酸铜），三角格子（YbMgGaO4，NaYbO2 和TbInO3），笼目格[ZnCu3(OH)6Cl2 和 m3Sb3Zn2O14]，蜂窝状格子（Na2IrO3 和 α-RuCl3），以及烧绿石结构（Tb2Ti2O7，Pr2Ir2O7 和Ce2Zr2O7）。     

Effect of Cu doping on the magnetic and electrical properties of n=2 Ruddlesden-Popper manganates

A series of polycrystalline Cu-doped n=2 Ruddlesden-Popper manganates La1.2Sr1.8CuzMn（2-x）O7 （x=0, 0.04, 0.13） were synthesized by the solid state reaction method. The effect of Cu doping on the magnetic and transport properties has been studied. It is found that Cu substitution for Mn greatly affects the magnetic and electrical properties of the parent phase La1.2Sr1.8Mn2O7. With the increase of Cu content, the system undergoes a transition from longrange ferromagnetic order to the spin glass state and further to an antiferromagnetic order. A little of Cu dopant can lead to the samples showing semiconductor or insulator behaviour in the whole observed temperature range while the parent phase has a metal-insulator transition. These samples show colossal magnetoresistance at low temperatures and the value of it decreases with increasing Cu content.     

Magnetic ground state and transition of a quantum multiferroic LiCu2O2

Based on resonant soft x-ray magnetic scattering, we report that LiCu2O2 exhibits a large interchain coupling which suppresses quantum fluctuations along spin chains, and a quasi-2D short-range magnetic order prevails at temperatures above the magnetic transition. These observations unravel the fact that the ground state of LiCu2O2 possesses long-range 2D-like incommensurate magnetic order rather than being a gapped spin liquid as expected from the nature of quantum spin-1/2 chains. In addition, the spin coupling along the c axis is found to be essential for inducing electric polarization.     

First-order transition in the spin dynamics of geometrically frustrated Yb2Ti2O7

Using neutron diffraction, 170Yb M?ssbauer and muon spin relaxation spectroscopies, we have examined the pyrochlore Yb2Ti2O7, where the Yb3+S' = 1/2 ground state has planar anisotropy. Below approximately 0.24 K, the temperature of the known specific-heat lambda transition, there is no long range magnetic order. We show that the transition corresponds to a first-order change in the fluctuation rate of the Yb3+ spins. Above the transition temperature, the rate, in the GHz range, follows a thermal excitation law, whereas below, the rate, in the MHz range, is temperature independent, indicative of a quantum fluctuation regime.     

Quantum spin fluctuations in the spin-liquid state of Tb?Ti?O?

Neutron scattering experiments on a polycrystalline sample of the frustrated pyrochlore magnet Tb(2)Ti(2)O(7), which does not show any magnetic order down to 50 mK, have revealed that it shows condensation behavior below 0.4 K from a thermally fluctuating paramagnetic state to a spin-liquid ground state with quantum spin fluctuations. Energy spectra change from quasielastic scattering to a continuum with a double-peak structure at energies of 0 and 0.8 K in the spin-liquid state. Specific heat shows an anomaly at the crossover temperature.     

Long-range order at low temperatures in dipolar spin ice

It has recently been suggested that long-range magnetic dipolar interactions are responsible for spin ice behavior in the Ising pyrochlore magnets Dy2Ti2O7 and Ho2Ti2O7. We report here numerical results on the low temperature properties of the dipolar spin ice model, obtained via a new loop algorithm which greatly improves the dynamics at low temperature. We recover the previously reported missing entropy in this model, and find a first order transition to a long-range ordered phase with zero total magnetization at very low temperature. We discuss the relevance of these results to Dy2Ti2O7 and Ho2Ti2O7.     

Field-induced ferromagnetic metallic state in the bilayer manganite (La0.4Pr0.6)1.2Sr1.8Mn2O7, probed by neutron scattering

The bilayer manganite La1.2Sr1.8Mn2O7 exhibits a phase transition from a paramagnetic insulating (PI) to a ferromagnetic metallic (FM) state with a colossal magnetoresistance (CMR) effect. Upon 60% Pr substitution, magnetic order and PI to FM transition are suppressed. Application of a moderate magnetic field restores an FM state with a CMR effect. Neutron scattering by a single crystal of (La0.4Pr0.6)1.2Sr1.8Mn2O7, under a magnetic field of 5 T, has revealed a long-range and homogeneous ferromagnetic order. In the PI phase, under zero field, correlated lattice polarons have been detected. At 28 K, under 5 T, the spin wave dispersion curve determines an in-plane isotropic spin wave stiffness constant of 146 meV A(2). So the magnetic field not only generates a homogeneous ferromagnetic ground state, but also restores a magnetic coupling characteristic of FM CMR manganites.     

Experimental realization of a spin-1/2 triangular-lattice Heisenberg antiferromagnet

We report the results of magnetization and specific heat measurements on Ba{3}CoSb{2}O{9}, in which the magnetic Co{2+} ion has a fictitious spin 1/2, and provide evidence that a spin-1/2 Heisenberg antiferromagnet on a regular triangular lattice is actually realized in Ba{3}CoSb{2}O{9}. We found that the entire magnetization curve including the one-third quantum magnetization plateau is in excellent quantitative agreement with the results of theoretical calculations. We also found that Ba{3}CoSb{2}O{9} undergoes a three-step transition within a narrow temperature range.     

High-resolution calorimetric study of pb(mg_{1/3}nb_{2/3})o_{3} single crystal

Motivated by the long-standing unresolved enigma of the relaxor ferroelectric ground state, we performed a high-resolution heat capacity and polarization study of the field-induced phase transition in the relaxor ferroelectric single crystal Pb(Mg_{1/3}Nb_{2/3})O_{3} (PMN) oriented along the [110] direction. We show that the discontinuous evolution of polarization as a function of the electric field or temperature is a consequence of a true first order transition from a glassy to ferroelectric state, which is accompanied by an excess heat capacity anomaly and released latent heat. We also find that in a zero field there is no ferroelectric phase transition in bulk PMN at any temperature, indicating that the nonergodic dipolar glass phase persists down to the lowest temperatures.     

Spin polarization effect for molecule Ta2

Density functional theory （DFT） （B3p86） has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^＋, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^＋ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively.     

Continuous quantum phase transitions in the one-dimensional spin-1/2 axial next-nearest-neighbour Ising model in two orthogonal magnetic fields

We have investigated the one-dimensional spin-1/2 axial next-nearest-neighbour Ising (ANNNI) model in two orthogonal magnetic fields at zero temperature. There are four different possible ground state configurations for the ANNNI model in a longitudinal field, in the thermodynamic limit. The inclusion of a transverse field introduces quantum fluctuations which destroy the existing spin order along certain critical lines. The effects of the fluctuations in three of the four ordered regions were investigated using the finite-size scaling technique. The phase boundaries of the ANNNI model in two orthogonal magnetic fields were thus determined numerically. For certain limits of the Hamiltonian we compared the obtained results with the existing literature and our results were in good agreement with the results in the existing literature.     

Topological spin liquid on the hyperkagome lattice of Na4Ir3O8

Recent experiments on the "hyperkagome" lattice system Na4Ir3O8 have demonstrated that it is a rare example of a three-dimensional spin-1/2 frustrated antiferromagnet. We investigate the role of quantum fluctuations as the primary mechanism lifting the macroscopic degeneracy inherited by classical spins on this lattice. In the semiclassical limit we predict, based on large-N calculations, that an unusual q[over -->]=0 coplanar magnetically ordered ground state is stabilized with no local zero modes that correspond to local deformations of the spin configurations. This phase melts in the quantum limit and a gapped topological Z2 spin liquid phase emerges. In the vicinity of this quantum phase transition, we study the dynamic spin structure factor and comment on the relevance of our results for future neutron scattering experiments.     

Low energy spin dynamics in the spin ice Ho2Sn2O7

The magnetic properties of Ho(2)Sn(2)O(7) have been investigated and compared to other spin ice compounds. Although the lattice has expanded by 3% relative to the better studied Ho(2)Ti(2)O(7) spin ice, no significant changes were observed in the high temperature properties, T is more or approximately equal to 20 K. As the temperature is lowered and correlations develop, Ho(2)Sn(2)O(7) enters its quantum phase at a slightly higher temperature than Ho(2)Ti(2)O(7) and is more antiferromagnetic in character. Below 80 K a weak inelastic mode associated with the holmium nuclear spin system has been measured. The hyperfine field at the holmium nucleus was found to be ≈700 T.     

Thermal Hall conductivity with sign change in the Heisenberg–Kitaev kagome magnet

The Heisenberg-Kitaev(HK) model on various lattices has attracted a lot of attention because it may lead to exotic states such as quantum spin liquid and topological orders.The rare-earth-based kagome lattice(KL) compounds Mg₂RE₃Sb₃O₁₄(RE=Gd,Er) and(RE=Nd) have q=0,120° order and canted ferromagnetic(CFM) order,respectively.Interestingly,the HK model on the KL has the same ground state long-range orders.In the theoretical phase diagram,the CFM phase re...     

Spin polarization effect for Cr2 molecule

Density functional theory （DFT） （B3P86） of Gaussian 03 has been used to optimize the structure of the Cr2 molecule, a transition metal element molecule. The result shows that the ground state for the Cr2 molecule is a 13- multiple state, indicating that there exists a spin polarization effect in the Cr2 molecule. Meanwhile, we have not found any spin pollution because the wave function of the ground state does not mingle with wave functions of higher-energy states. So the ground state for Cr2 molecule being a 13-multiple state is indicative of spin polarization effect of the Cr2 molecule among transition metal elements, that is, there are 12 parallel spin electrons in the Cr2 molecule. The number of non-conjugated electrons is greatest. These electrons occupy different spatial orbitals so that the energy of the Cr2 molecule is minimized. It can be concluded that the effect of parallel spin in the Cr2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell Sorbie potential functions with the parameters for the ground state and other states of the Cr2 molecule are derived. The dissociation energy De for the ground state of the Cr2 molecule is 0.1034eV, equilibrium bond length Re is 0.3396 nm, and vibration frequency we is 73.81cm^-1. Its force constants f2, f3 and f4 are 0.0835, -0.2831 and 0.3535 aJ. nm^-4 respectively. The other spectroscopic data for the ground state of the Cr2 molecule ωeχe, Be and αe are 1.2105, 0.0562 and 7.2938 x 10^-4cm^-1 respectively.     

Spin-lattice interaction in the quasi-one-dimensional helimagnet LiCu2O2

The field dependence of the electron spin resonance in a helimagnet LiCu2O2 was investigated for the first time. In the paramagnetic state, a broad resonance line was observed corresponding to a g factor of 2.3. In the critical regime, around the paramagnetic to helimagnetic phase transition the resonance broadens and shifts to higher frequencies. A narrow signal is recovered at a low temperature, corresponding to a spin gap of 1.4 meV in zero field. A comprehensive model of the magnons is presented, using exchange parameters from neutron scattering [T. Masuda Phys. Rev. B 72, 014405 (2005)10.1103/PhysRevB.72.014405] and the spin anisotropy determined here. The role of the quantum fluctuations is discussed.     

Quantum Spin Systems at Positive Temperature

We develop a novel approach to phase transitions in quantum spin models based on a relation to their classical counterparts. Explicitly, we show that whenever chessboard estimates can be used to prove a phase transition in the classical model, the corresponding quantum model will have a similar phase transition, provided the inverse temperature β and the magnitude of the quantum spins satisfy . From the quantum system we require that it is reflection positive and that it has a meaningful classical limit; the core technical estimate may be described as an extension of the Berezin-Lieb inequalities down to the level of matrix elements. The general theory is applied to prove phase transitions in various quantum spin systems with . The most notable examples are the quantum orbital-compass model on and the quantum 120-degree model on which are shown to exhibit symmetry breaking at low-temperatures despite the infinite degeneracy of their (classical) ground state.     

Spin polarization effect for Co2 molecule

The density functional theory (DFT)(b3p86) of Gaussian 03 has been used to optimize the structure of the Co$_{2}$ molecule, a transition metal element molecule. The result shows that the ground state for the Co$_{2}$ molecule is a 7-multiple state, indicating a spin polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state is not mingled with wavefunctions of higher-energy states. So for the ground state of Co$_{2}$ molecule to be a 7-multiple state is the indicative of spin polarization effect of the Co$_{2}$ molecule, that is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacial orbitals so that the energy of the Co$_{2}$ molecule is minimized. It can be concluded that the effect of parallel spin in the Co$_{2}$ molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state and the other states of the Co$_{2}$ molecule are derived. The dissociation energy $De$ for the ground state of Co$_{2}$ molecule is 4.0489eV, equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ - 2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4 }$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$, $B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$, and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And $\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency, $B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised constant of rotational constant for non-rigid part of Co$_2$ molecule.     

Mesoscopic microwave dispersion in ferroelectric thin films

The magnetic and transport properties of pyrochlore R_{2}Mo_{2}O_{7} have been studied with variation of the rare earth ( R). The change of the mean ionic radius of R, which induces change of the lattice structure, determines the magnetic ground state (ferromagnetic or spin glass), and the magnetic phase boundary is correlated with the metal-insulator crossover. Furthermore, we found enhanced magnetoresistance and unusual residual anomalous Hall effect at low temperatures near the phase boundary, which can be attributed to the coexistence of both phases.