We present a comprehensive experimental and theoretical study of the electronic and magnetic properties of two quasi-two-dimensional (2D) honeycomb-lattice monoclinic compounds A 3 Ni 2 SbO 6 (A=Li, Na). Magnetic susceptibility and specific heat data are consistent with the onset of antiferromagnetic (AFM) long range order at low temperatures with Néel temperatures ~ 14 and 16 K for Li 3 Ni 2 SbO 6 and Na 3 Ni 2 SbO 6 , respectively. The effective magnetic moments of 4.3  B /f.u. (Li 3 Ni 2 SbO 6 ) and 4.4  B /f.u. (Na 3 Ni 2 SbO 6 ) indicate that Ni 2+ is in a high-spin configuration (S=1). The temperature dependence of the inverse magnetic susceptibility follows the Curie-Weiss law in the high-temperature region and shows positive values of the Weiss temperature ~ 8 K (Li 3 Ni 2 SbO 6 ) and ~12 K (Na 3 Ni 2 SbO 6 ) pointing to the presence of nonnegligible ferromagnetic interactions, although the system orders AFM at low temperatures. In addition, the magnetization curves reveal a field-induced (spin-flop type) transition below T N that can be related to the magnetocrystalline anisotropy in these systems. These observations are in agreement with density functional theory calculations, which show that both antiferromagnetic and ferromagnetic intralayer spin exchange couplings between Ni 2+ ions are present in the honeycomb planes supporting a zigzag antiferromagnetic ground state. Based on our experimental measurements and theoretical calculations we propose magnetic phase diagrams for the two compounds. 75.30.Kz; 75.10.Dg; 75.30.Gw; 75.30.Et

Crystallographic and magnetic properties of new layered honeycomb-lattice Li3Co2SbO6 antimonate were studied and compared with its sodium precursor Na3Co2SbO6.

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We report the revised crystal structure, static and dynamic magnetic properties of quasi-two dimensional honeycomb-lattice silver delafossite Ag 3 Co 2 SbO 6 . The magnetic susceptibility and specific heat data are consistent with the onset of antiferromagnetic long range order at low temperatures with Néel temperature T N ~ 21.2 K. In addition, the magnetization curves revealed a field-induced (spin-flop type) transition below T N in moderate magnetic fields. The GGA+U calculations show the importance of the orbital degrees of freedom, which maintain a hierarchy of exchange interaction in the system. The strongest antiferromagnetic exchange coupling was found in the shortest Co-Co pairs and is due to direct and superexchange interactions between the half-filled xz+yz orbitals pointing directly to each other. The other four out of six nearest neighbor exchanges within the cobalt hexagon are suppressed, since for these bonds active half-filled orbitals turned out to be parallel and do not overlap. The electron spin resonance (ESR) spectra reveal a Gaussian shape line attributed to Co 2+ ion in octahedral coordination with average effective g-factor g=2.3±0.1 at room temperature and shows strong divergence of ESR parameters below ~ 120 K, which imply an extended region of short-range correlations. Based on the results of magnetic and thermodynamic studies in applied fields, we propose the magnetic phase diagram for the new honeycomb-lattice delafossite.

The structure and the magnetic properties of layered Li 3 Cu 2 SbO 6 are investigated by powder X-ray diffraction, static susceptibility, and electron spin resonance studies up to 330 GHz.The XRD data experimentally verify the space group C2/m with halved unit cell volume in contrast to previously reported C2/c. In addition, the data show significant Li/Cu-intersite exchange. Static magnetic susceptibility and ESR measurements show two magnetic contributions, i.e. quasi-free spins at low-temperature and a spin-gapped magnetic subsystem, with about half of the spins being associated to each subsystem. The data suggest ferromagnetic-antiferromagnetic alternating chains with J FM = -285 K and J AFM = 160 K with a significant amount of Li-defects in the chains. The results are discussed in the scenario of fragmented 1D S = 1 AFM chains with a rather high defect concentration of about 17% and associated S = ½ edge states of the resulting finite Haldane chains.

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