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Exchange constants and spin waves of the orbital-ordered noncollinear spinel MnV_2O_4

机译:轨道有序非共线尖晶石MnV_2O_4的交换常数和自旋波

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We study the exchange constants of MnV_2O_4 using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for three different orbital orderings of the vanadium atoms of the spinel, two sizes of trigonal distortion, and several values of Coulomb parameter U. We then map the exchange constants to a Heisenberg model with single-ion, anisotropy and solve for the spin wave excitations in the noncollinear, low-temperature phase, of the spinel. The single-ion anisotropy parameters are obtained from an atomic multiplet exact-diagonalization program, taking into effect the crystal-field splitting and the spin-orbit coupling. We find good agreement between the spin waves of one of our orbital ordered setups with previously reported experimental spin waves as determined by neutron scattering. We can therefore determine the correct orbital order from various proposals that exist in the literature.
机译:我们利用磁力定理和密度泛函理论的局部自旋密度近似,并结合现场哈伯德相互作用U进行校正,研究了MnV_2O_4的交换常数。我们获得了三种不同的尖晶石钒原子轨道顺序的交换,两个大小的三角形畸变和几个库仑参数U值。然后,我们将交换常数映射到具有单离子各向异性的Heisenberg模型,并求解尖晶石在非共线,低温相中的自旋波激发。单离子各向异性参数是从原子多重精确对角化程序获得的,其中考虑了晶体场分裂和自旋轨道耦合。我们发现,其中一种轨道有序装置的自旋波与先前报道的由中子散射确定的实验自旋波之间具有良好的一致性。因此,我们可以从文献中存在的各种建议中确定正确的轨道顺序。

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