The first successful measurements of a sub-lattice magnetism with 51V NMR techniques in the sigma-phase Fe(100-x)Vx alloys with x = 34.4, 39.9 and 47.9 are reported. Vanadium atoms present on all five crystallographic sites are magnetic. Their magnetic properties are characteristic of a given site, which strongly depend on the composition. The strongest magnetism exhibit sites A and the weakest one sites D. The estimated average magnetic moment per V atom decreases from 0.36 muB for x = 34.4 to 0.20 muB for x = 47.9. The magnetism revealed at V atoms is linearly correlated with the magnetic moment of Fe atoms, which implies that the former is induced by the latter.
We give evidence for intrinsic, defect-induced bulk paramagnetism in SiC by means of $^{13}$C and $^{29}$Si nuclear magnetic resonance (NMR) spectroscopy. The temperature dependence of the internal dipole-field distribution, probed by the spin part of the NMR Knight shift and the spectral linewidth, follows a Curie law and scales very well with the macroscopic DC susceptibility. In order to quantitatively analyze the NMR spectra, a microscopic model based on dipole-dipole interactions was developed. The very good agreement between these simulations and the NMR data establishes a direct relatio…
High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding
采用第一性原理嵌入团簇方法计算了典型过渡金属氧化物ABO_3钙钛矿晶体中氧的化学屏蔽张量σ。我们的主要发现是：（1）去屏蔽的σ_x ~ σ_y和屏蔽的σ_z分量（z沿Ti-O键）之间存在较大的σ各向异性;（2）在所有研究的体系中，各向同性σ_iso和单轴σ_ax分量作为B-O-B键不对称性的函数几乎呈线性变化。我们发现，各向异性和线性变化引起的大顺磁贡献sigma_x和sigma_y由于虚跃迁之间的O（2 p）和未占用的B（nd）的状态。计算得到的各向同性δ_iso和单轴δ_ax化学位移与最近BaTiO_3和SrTiO_3单晶~（17）O NMR测量结果符合得很好。在PbTiO_3和PbZrO_3中，δ_iso的计算值与NMR粉末谱测量值也符合得很好。在PbZrO_3中，对五个不同化学位置的delta_iso计算表明了实验结果的修正。在我们的计算中发现，σ对共价O（2 p）-B（nd）相互作用的强烈依赖性表明，17 O NMR光谱与第一性原理计算相结合，可以成为研究复杂钙钛矿合金中局部结构的特别有用的工具。
Fe2Al5 contains a Fe-Al matrix through which are threaded disordered one-dimensional chains of overlapping Al sites. We report magnetic, nuclear-magnetic-resonance (NMR), and specific-heat measurements addressing its magnetic and vibrational properties. The Curie-type susceptibility is found to be due to dilute moments, likely due to wrong-site Fe atoms. 27Al NMR shift and spin-lattice relaxation measurements confirm these to be indirectly coupled through a Ruderman-Kittel-Kasuya-Yoshida-type interaction. Specific-heat results indicate a large density of low-energy vibrational modes. These exc…
Temperature- and field- dependent $^1$H-, $^{19}$F-, and $^{79,81}$Br- NMR measurements together with zero - field $^{79,81}$Br-NQR measurements on polycrystalline samples of barlowite, Cu$_4$(OH)$_6$FBr are conducted to study the magnetism and possible structural distortions on a microscopic level. The temperature dependence of the $^{79,81}$Br- NMR spin-lattice relaxation rates 1/$T_1$ indicate a phase transition at $T_{\rm N}\simeq$15 K which is of magnetic origin, but with an unusually weak slowing down of fluctuations below $T_{\rm N}$. Moreover, 1/$T_1T$ scales linear with the bulk susce…
We present self flux growth and characterization of single crystalline AlMn$_2$B$_2$. It is an orthorhombic (space group Cmmm), layered material with a plate like morphology. The anisotropic bulk magnetization data, electrical transport and $^{11}$B nuclear magnetic resonance(NMR) data revealed an antiferromagnetic (AFM) transition at 313 $\pm$ 2 K. In the magnetization data, there is also a broad local maximum significantly above the AFM transition that could be a signature of low dimensional magnetic interactions in AlMn$_2$B$_2$.
We report synthesis and magnetic properties of quasi-one-dimensional spin-$\frac{1}{2}$ Heisenberg antiferromagnetic chain compound BaNa$_2$Cu(VO$_4$)$_2$. This orthovanadate has a centrosymmetric crystal structure, $C2/c$, where the magnetic Cu$^{2+}$ ions form spin chains. These chains are arranged in layers, with the chain direction changing by 62$^0$ between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the inter-chain interactions into consideration. Despite this potential structural complexity, temperature-dependent …
Cross-correlation between magnetism and dielectric is expected to offer novel emergent phenomena. Here, magnetic excitations in the organic donor-acceptor spin-chain system, TTF-BA, with a ferroelectric ground state is investigated by $^1$H-NMR spectroscopy. A nonmagnetic transition with a ferroelectric order is marked by sharp drops in NMR shift and nuclear spin relaxation rate $T_1^{-1}$ at 53 K. Remarkably, the analyses of the NMR shift and $T_1^{-1}$ dictate that the paramagnetic spin susceptibility in TTF-BA is substantially suppressed from that expected for the 1D Heisenberg spins. We pr…
Ferromagnetism and Metamagnetism in Copper-doped Germanium Clathrate
铜掺杂的I型锗笼形物在90 K以下表现出弱磁性，包括铁磁性、反铁磁性和变磁转变。63 Cu NMR测量证实，这些转变是由于通过传导电子耦合的磁性缺陷的稀组合物，行为类似于磁性半导体。磁性测量表明局部的磁矩，归因于磁性离子簇，铁磁和反铁磁交换之间的竞争，也表明在铁磁相的玻璃态行为。核磁共振奈特位移和弛豫时间表明，导带是金属与一个大的科林加比。与平均场论的有序行为的比较给出了一个很好的解释铁磁转变。
Magnetism of the spin-$\frac12$ $α$-KVOPO$_4$ is studied by thermodynamic measurements, $^{31}$P nuclear magnetic resonance (NMR), neutron diffraction, and density-functional band-structure calculations. Ferromagnetic Curie-Weiss temperature of $θ_{\rm CW}\simeq 15.9$ K and the saturation field of $μ_0H_s\simeq 11.3$ T suggest the predominant ferromagnetic coupling augmented by a weaker antiferromagnetic exchange that leads to a short-range order below 5 K and the long-range antiferromagnetic order below $T_{\rm N}\simeq 2.7$ K in zero field. Magnetic structure with the propagation vector $\ma…
Platelike high-quality NaYbS$_{2}$ rhombohedral single crystals with lateral dimensions of a few mm have been grown and investigated in great detail by bulk methods like magnetization and specific heat, but also by local probes like nuclear magnetic resonance (NMR), electron-spin resonance (ESR), muon-spin relaxation ($μ$SR), and inelastic neutron scattering (INS) over a wide field and temperature range. Our single-crystal studies clearly evidence a strongly anisotropic quasi-2D magnetism and an emerging spin-orbit entangled $S=1/2$ state of Yb towards low temperatures together with an absence…
We present first principles calculations of the magnetic and orbital properties of Ba$_2$NaOsO$_6$ (BNOO), a 5$d^1$ Mott insulator with strong spin orbit coupling (SOC) in its low temperature emergent quantum phases. Our computational method takes into direct consideration recent NMR results that established that BNOO develops a local octahedral distortion preceding the formation of long range magnetic order. We found that the two-sublattice canted ferromagnetic ground state identified in Lu \etal, Nature Comm. {\bf 8}, 14407 (2017) is accompanied by a two-sublattice staggered orbital ordering…
$Ni_{50-x}Co_{x}Mn_{40}Sn_{10}$ shape memory alloys in the approximate range $5 \le x \le 10$ display desirable properties for applications as well as intriguing magnetism. These off-stoichiometric Heusler alloys undergo a martensitic phase transformation at a temperature $T_{M}$ of 300 - 400 K, from ferromagnetic (F) to nonferromagnetic, with unusually low thermal hysteresis and a large change in magnetization. The low temperature magnetic structures in the martensitic phase of such alloys, which are distinctly inhomogeneous, are of great interest but are not well understood. Our present use …
The layered β-NaMnO2, a promising Na-ion energy-storage material has been investigated for its triangular lattice capability to promote complex magnetic configurations that may release symmetry restrictions for the coexistence of ferroelectric and magnetic orders. The complexity of the neutron powder diffraction patterns underlines that the routinely adopted commensurate structural models are inadequate. Instead, a single-phase superspace symmetry description is necessary, demonstrating that the material crystallizes in a compositionally modulated q= (0.077(1), 0, 0) structure. Here, Mn3+ Jahn…
