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1.
Inorg Chem ; 54(9): 4303-9, 2015 May 04.
Article in English | MEDLINE | ID: mdl-25864534

ABSTRACT

By both experimental measurements and theoretical calculations, we investigated the magnetic and electronic properties of Li2Cu(WO4)2 as a tungstate-bridged quasi-one-dimensional (1D) copper spin-(1/2) chain system. Interestingly, magnetic susceptibility χ(T) and specific heat measurements show that the system undergoes a three-dimensional antiferromagnetic (AF)-like ordering at TN ≈ 3.7 K, below a broad χ(T) maximum at ∼8.9 K indicating a low-dimensional short-range AF spin correlation. Bonner-Fisher model fitting of χ(T) leads to an AF intrachain exchange constant of J/kB = 15.8 ± 0.1 K, and mean-field theory estimation gives an interchain coupling constant of J⊥/kB = 1.6 K, which supports the quasi-1D nature of this spin system. Theoretical evaluation of exchange coupling constants within the generalized gradient approximation (GGA) plus on-site Coulomb interaction (U) shows that the dominant AF exchange interaction is of ∼13.9 K along the a-axis with weak interchain coupling, in agreement with the experimental result of a quasi-1D spin-(1/2) chain system. The GGA+U calculations also predict that Li2Cu(WO4)2 is a charge transfer-type AF semiconductor with a direct band gap of 1.5 eV.

2.
J Phys Condens Matter ; 26(29): 296001, 2014 Jul 23.
Article in English | MEDLINE | ID: mdl-24979584

ABSTRACT

Metals with large positive magnetoresistance are rare. We demonstrate that antiferromagnetic metallic states, as have been predicted for the double perovskites, are excellent candidates for huge positive magnetoresistance. An applied field suppresses long range antiferromagnetic order leading to a state with short range antiferromagnetic correlations and strong electronic scattering. The field induced resistance ratio can be more than tenfold, at moderate field, in a structurally ordered system, and continues to be almost twofold even in systems with ∼ 25% antisite disorder. Although our explicit demonstration is in the context of a two- dimensional spin-fermion model of the double perovskites, the mechanism we uncover is far more general, complementary to the colossal negative magnetoresistance process, and would operate in other local moment metals that show a field driven suppression of non-ferromagnetic order.

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