Specific heat measurements on Fe 2 VAl show the previously reported upturn in electronic specific heat coefficient (␥) to be sample dependent, and related to magnetic defects. These measurements, in temperatures as low as 0.6 K and magnetic fields up to 8 T, indicate the presence of Schottky anomalies arising from magnetic clusters having a moment 3.7 B. This result is in good agreement with theoretical estimates for Fe antisite defects in the material. The inherent ␥ϭ1.5Ϯ0.3 mJ/mol K 2 deduced from this work is considerably less than previously reported, and the behavior does not appear consistent with heavy fermion behavior. However, the mass enhancement is significant when compared to nuclear magnetic resonance and band calculations, and we propose a spin-fluctuation mechanism. ͓S0163-1829͑99͒51444-6͔

We report the results of a 27 Al and 51 V nuclear magnetic resonance study of Fe 2 VAl at temperatures between 4 and 550 K. This material has been a subject of current interest due to indications of possible heavy fermion behavior. The low-temperature NMR relaxation rate follows a Korringa law, indicating a small density of carriers at the Fermi level. At elevated temperatures, the shifts and relaxation rates go over to a thermally activated response, a semiconductorlike behavior, consistent with separate low-lying bands removed from the Fermi-level. These results are consistent with recent electronic structure calculations, and can explain both the reported activated resistivity as well as the Fermi cutoff exhibited in photoemission studies. While we observe nonstoichiometric samples of (Fe 1Ϫx V x ) 3 Al to be magnetic, the xϭ0.33 composition is nonmagnetic, with narrow NMR linewidths. ͓S0163-1829͑98͒07739-X͔

We report 125 Te NMR measurements of the topological quantum material ZrTe5. Spin-lattice relaxation results, well-explained by a theoretical model of Dirac electron systems, reveal that the topological characteristic of ZrTe5 is T -dependent, changing from weak topological insulator to strong topological insulator as temperature increases. Electronic structure calculations confirm this ordering, the reverse of what has been proposed. NMR results demonstrate a gapless Dirac semimetal state occurring at a Lifshitz transition temperature, Tc = 85 K in our crystals. We demonstrate that the changes in NMR shift at Tc also provide direct evidence of band inversion when the topological phase transition occurs.

We present a systematic study of the DO 22 -structure trialuminide intermetallic alloys using 27 Al NMR spectroscopy. The quadrupole splittings, Knight shifts, and spin-lattice relaxation times on Al 3 Ti, Al 3 V, Al 3 Nb, and Al 3 Ta have been identified. Knight-shift tensors were isolated by observation of quadrupole satellite lines and fitting to the central-transition powder patterns. The results are associated with the local electronic density of states for each crystallographic site. Universally small isotropic Knight shifts and long T 1 's are consistent with low Fermi-surface densities of states indicating the importance of Fermi-surface features for the phase stability of these alloys. Larger anisotropic Knight shifts occurring at aluminum site I indicate strong hybridization at this site, and the electric-field-gradient tensors confirm the strong ab plane bonding configuration. Local-moment magnetism is found in Al 3 V, yet electrically this material appears very similar to the other DO 22 aluminides. ͓S0163-1829͑98͒07112-4͔

The self-assembly of supramolecular copper "tennis balls" that possess unusual magnetic properties using a small pyridyl amide ligand is described. Copper(II) complexes of N-(2-pyridylmethyl)acetamide (HL) were synthesized in methanol. In the absence of base, the mononuclear complex [Cu(HL)(2)](ClO(4))(2) (1) was prepared. The structure of 1, determined by X-ray crystallography, contains a copper(II) ion surrounded by bidentate HL ligands coordinated via the pyridyl N atom and the carbonyl O atom in a trans, square planar arrangement. Reactions carried out in the presence of triethylamine resulted in cluster complexes [Cu(8)L(8)(OH)(4)](ClO(4))(4) and [Cu(8)L(8)(OH)(4)](CF(3)SO(3))(4) [2(ClO(4))(4) and 2(OTf)(4), respectively]. The cationic portions of 2(ClO(4))(4) and 2(OTf)(4) are isostructural, containing eight copper(II) ions, eight deprotonated ligands (L(-)), and four mu(3)-hydroxide ligands. The top and bottom halves of the cluster are related by a pseudo-S(4) symmetry operation and are held together by bridging L(-) ligands. Solutions of 2(ClO(4))(4) and 2(OTf)(4), which were shown to contain the full [Cu(8)L(8)(OH)(4)](4+) fragment by electrospray mass spectrometry and conductance experiments, are EPR silent. Magnetic susceptibility measurements for 2(ClO(4))(4) as a function of temperature and magnetic field showed the Cu ions all to exhibit magnetic moments in the range expected for the d(9) configuration. At low temperatures, the magnetization was reduced due to predominantly antiferromagnetic interactions between ions. Analysis showed that partially frustrated interactions among the four Cu ions making up each half of the cluster gave good agreement with the data once a large molecular anisotropy was taken into account, with J(c) = 106 cm(-1), D = 27 cm(-1), and g = 2.17.

We give solutions for spin-lattice relaxation in NOR due to magnetic interactions, generalized for non-axial crystal fieldswith q # 0. We find analyticexpressions for I = f and give numerical solutions for I = 3, Z and 4. We find that the relaxation curves change considerably with q , Specificresultsarederivedfor relaxationdue toFermicontactinmetals andotherelectronic hyperfineinteractions. We alsodesaibechangesinduced by the addition of a magnetic field, indicating fields at which standard NMR results break down.

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We report 63 Cu and 65 Cu NMR on Cu 2 Se, a superionic conductor of interest for thermoelectric and other applications. Results demonstrate an initial appearance of ionic hopping in a narrow temperature range above 100 K, coinciding with the recently observed low-temperature phase transition. At room temperature and above this goes over to rapid Cu-ion hopping and a single motionally narrowed line both above and below the α − β structural transition. The low-temperature α ′ phase exhibits a sizable metallic shift, in contrast to the high temperature structures. The large variation in native carrier density, significantly enhanced at positions associated with Cu vacancies, indicates the strong influence of an impurity band on low-temperature electronic transport.