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- ItemExtremely well isolated two-dimensional spin-1/2 antiferromagnetic Heisenberg layers with a small exchange coupling in the molecular-based magnet CuPOF(Woodbury, NY : Inst., 2020) Opherden, D.; Nizar, N.; Richardson, K.; Monroe, J.C.; Turnbull, M.M.; Polson, M.; Vela, S.; Blackmore, W.J.A.; Goddard, P.A.; Singleton, J.; Choi, E.S.; Xia, F.; Williams, R.C.; Lancaster, T.; Pratt, F.L.; Blundell, S.J.; Skourski, Y.; Uhlarz, M.; Ponomaryov, A.N.; Zvyagin, S.A.; Wosnitza, J.; Baenitz, M.; Heinmaa, I.; Stern, R.; Kühne, H.; Landee, C.P.We report on a comprehensive characterization of the newly synthesized Cu2+-based molecular magnet [Cu(pz)2(2-HOpy)2](PF6)2 (CuPOF), where pz=C4H4N2 and 2-HOpy=C5H4NHO. From a comparison of theoretical modeling to results of bulk magnetometry, specific heat, μ+SR, ESR, and NMR spectroscopy, this material is determined as an excellent realization of the two dimensional square-lattice S=12 antiferromagnetic Heisenberg model with a moderate intraplane nearest-neighbor exchange coupling of J/kB=6.80(5) K, and an extremely small interlayer interaction of about 1 mK. At zero field, the bulk magnetometry reveals a temperature-driven crossover of spin correlations from isotropic to XY type, caused by the presence of a weak intrinsic easy-plane anisotropy. A transition to long-range order, driven by the low-temperature XY anisotropy under the influence of the interlayer coupling, occurs at TN=1.38(2) K, as revealed by μ+SR. In applied magnetic fields, our H1-NMR data reveal a strong increase of the magnetic anisotropy, manifested by a pronounced enhancement of the transition temperature to commensurate long-range order at TN=2.8 K and 7 T. © 2020 authors.
- ItemElectronic correlations and magnetic interactions in infinite-layer NdNiO2(Woodbury, NY : Inst., 2020) Katukuri, Vamshi M.; Bogdanov, Nikolay A.; Weser, Oskar; Van den Brink, Jeroen; Alavi, AliThe large antiferromagnetic exchange coupling in the parent high-Tc cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped infinite-layer (IL-) NdNiO2 brings to the fore the relevance of magnetic coupling in high-Tc superconductors, particularly because no magnetic ordering is observed in the undoped IL-NdNiO2, unlike in parent copper oxides. Here, we investigate the electronic structure and the nature of magnetic exchange in IL-NdNiO2 using state-of-the-art many-body quantum chemistry methods. From a systematic comparison of the electronic and magnetic properties with isostructural cuprate IL-CaCuO2, we find that the on-site dynamical correlations are significantly stronger in IL-NdNiO2 compared to the cuprate analog. These dynamical correlations play a critical role in the magnetic exchange resulting in an unexpectedly large antiferromagnetic nearest-neighbor isotropic J of 77 meV between the Ni1+ ions within the ab plane. While we find many similarities in the electronic structure between the nickelate and the cuprate, the role of electronic correlations is profoundly different in the two. We further discuss the implications of our findings in understanding the origin of superconductivity in nickelates. © 2020 authors.
- ItemCorrelation induced magnetic topological phases in the mixed-valence compound SmB6(College Park, MD : APS, 2023) Liu, Huimei; Hirschmann, Moritz M.; Sawatzky, George A.; Khaliullin, Giniyat; Schnyder, Andreas P.SmB6 is a mixed-valence compound with flat f-electron bands that have a propensity to magnetism. Here, using a realistic Γ8 quartet model, we investigate the dynamical spin susceptibility and describe the in-gap collective mode observed in neutron scattering experiments. We show that as the Sm valence increases with pressure, the magnetic correlations enhance and SmB6 undergoes a first-order phase transition into a metallic antiferromagnetic state, whose symmetry depends on the model parameters. The magnetic orderings give rise to distinct band topologies: while the A-type order leads to an overlap between valence and conduction bands in the form of Dirac nodal lines, the G-type order has a negative indirect gap with weak Z2 indices. We also consider the spin polarized phase under a strong magnetic field, and find that it exhibits Weyl points as well as nodal lines close to the Fermi level. The magnetic phases show markedly different surface states and tunable bulk transport properties, with important implications for experiments. Our theory predicts that a magnetic order can be stabilized also by lifting the Γ8 cubic symmetry, thus explaining the surface magnetism reported in SmB6.
- ItemHigh-field phase diagram of the heavy-fermion metal YbRh2Si2(Milton Park : Taylor & Francis, 2006) Gegenwart, P.; Tokiwa, Y.; Westerkamp, T.; Weickert, F.; Custers, J.; Ferstl, J.; Krellner, C.; Geibel, C.; Kerschl, P.; Müller, K.-H.; Steglich, F.The tetragonal heavy-fermion (HF) metal YbRh2Si2 (Kondo temperature TK≈ 25 K) exhibits a magnetic field-induced quantum critical point related to the suppression of very weak antiferromagnetic (AF) ordering (TN = 70 mK) at a critical field of Bc = 0.06 T (B⊥ c). To understand the influence of magnetic fields on quantum criticality and the Kondo effect, we study the evolution of various thermodynamic and magnetic properties upon tuning the system by magnetic field. At B > Bc, the AF component of the quantum critical fluctuations becomes suppressed, and FM fluctuations dominate. Their polarization with magnetic field gives rise to a large increase of the magnetization. At B* = 10 T, the Zeeman energy becomes comparable to kB TK, and a steplike decrease of the quasi-particle mass deduced from the specific-heat coefficient indicates the suppression of HF behaviour. The magnetization M(B) shows a pronounced decrease in slope at B* without any signature of metamagnetism. The field dependence of the linear magnetostriction coefficient suggests an increase of the Yb-valency with field, reaching 3+ at high fields. A negative hydrostatic pressure dependence of B* is found, similar to that of the Kondo temperature. We also compare the magnetization behaviour in pulsed fields up to 50 T with that of the isoelectronic HF system YbIr2Si2, which, due to a larger unit-cell volume, has an enhanced TK of about 40 K.
- ItemMagnetoelastic coupling and ferromagnetic-type in-gap spin excitations in multiferroic α-Cu2V2O7(Bristol : Institute of Physics Publishing, 2018) Wang, L.; Werner, J.; Ottmann, A.; Weis, R.; Abdel-Hafiez, M.; Sannigrahi, J.; Majumdar, S.; Koo, C.; Klingeler, R.We investigate magnetoelectric coupling and low-energy magnetic excitations in multiferroic α-Cu2V2O7 by detailed thermal expansion, magnetostriction, specific heat and magnetization measurements in magnetic fields up to 15 T and by high-field/high-frequency electron spin resonance studies. Our data show negative thermal expansion in the temperature range ≤200 K under study. Well-developed anomalies associated with the onset of multiferroic order (canted antiferromagnetism with a significant magnetic moment and ferroelectricity) imply pronounced coupling to the structure. We detect anomalous entropy changes in the temperature regime up to ∼80 K which significantly exceed the spin entropy. Failure of Grüneisen scaling further confirms that several dominant ordering phenomena are concomitantly driving the multiferroic order. By applying external magnetic fields, anomalies in the thermal expansion and in the magnetization are separated. Noteworthy, the data clearly imply the development of a canted magnetic moment at temperatures above the structural anomaly. Low-field magnetostriction supports the scenario of exchange-striction driven multiferroicity. We observe low-energy magnetic excitations well below the antiferromagnetic gap, i.e., a ferromagnetic-type resonance branch associated with the canted magnetic moment arising from Dzyaloshinsii-Moriya (DM) interactions. The anisotropy parameter meV indicates a sizeable ratio of DM- and isotropic magnetic exchange.
- ItemExchange-Striction Driven Ultrafast Nonthermal Lattice Dynamics in NiO(College Park, Md. : APS, 2021) Windsor, Y.W.; Zahn, D.; Kamrla, R.; Feldl, J.; Seiler, H.; Chiang, C.-T.; Ramsteiner, M.; Widdra, W.; Ernstorfer, R.; Rettig, L.We use femtosecond electron diffraction to study ultrafast lattice dynamics in the highly correlated antiferromagnetic (AFM) semiconductor NiO. Using the scattering vector (Q) dependence of Bragg diffraction, we introduce Q-resolved effective temperatures describing the transient lattice. We identify a nonthermal lattice state with preferential displacement of O compared to Ni ions, which occurs within ∼0.3 ps and persists for 25 ps. We associate this with transient changes to the AFM exchange striction-induced lattice distortion, supported by the observation of a transient Q asymmetry of Friedel pairs. Our observation highlights the role of spin-lattice coupling in routes towards ultrafast control of spin order.
- ItemTopological Electronic Structure and Intrinsic Magnetization in MnBi4Te7: A Bi2Te3 Derivative with a Periodic Mn Sublattice(College Park, MD : American Physical Society, 2019) Vidal, R.C.; Zeugner, A.; Facio, J.I.; Ray, R.; Haghighi, M.H.; Wolter, A.U.B.; Corredor, Bohorquez, L.T.; Caglieris, F.; Moser, S.; Figgemeier, T.; Peixoto, T.R.F.; Vasili, H.B.; Valvidares, M.; Jung, S.; Cacho, C.; Alfonsov, A.; Mehlawat, K.; Kataev, V.; Hess, C.; Richter, M.; Büchner, B.; Van Den Brink, J.; Ruck, M.; Reinert, F.; Bentmann, H.; Isaeva, A.Combinations of nontrivial band topology and long-range magnetic order hold promise for realizations of novel spintronic phenomena, such as the quantum anomalous Hall effect and the topological magnetoelectric effect. Following theoretical advances, material candidates are emerging. Yet, so far a compound that combines a band-inverted electronic structure with an intrinsic net magnetization remains unrealized. MnBi2Te4 has been established as the first antiferromagnetic topological insulator and constitutes the progenitor of a modular (Bi2Te3)n(MnBi2Te4) series. Here, for n=1, we confirm a nonstoichiometric composition proximate to MnBi4Te7. We establish an antiferromagnetic state below 13 K followed by a state with a net magnetization and ferromagnetic-like hysteresis below 5 K. Angle-resolved photoemission experiments and density-functional calculations reveal a topologically nontrivial surface state on the MnBi4Te7(0001) surface, analogous to the nonmagnetic parent compound Bi2Te3. Our results establish MnBi4Te7 as the first band-inverted compound with intrinsic net magnetization providing a versatile platform for the realization of magnetic topological states of matter.