Elasticity and melting of vortex crystals in anisotropic superconductors: Beyond the continuum regime.

The elastic moduli of vortex crystals in anisotropic superconductors are frequently involved in the investigation of their phase diagram and transport properties. We provide a detailed analysis of the harmonic eigenvalues (normal modes) of the vortex lattice for general values of the magnetic field strength, going beyond the elastic continuum regime. The detailed behavior of these wave-vector-dependent eigenvalues within the Brillouin zone (BZ), is compared with several frequently used approximations that we also recalculate. Throughout the BZ, transverse modes are less costly than their longitudinal counterparts, and there is an angular dependence which becomes more marked close to the zone boundary. Based on these results, we propose an analytic correction to the nonlocal continuum formulas which fits quite well the numerical behavior of the eigenvalues in the London regime. We use this approximate expression to calculate thermal fluctuations and the full melting line (according to Lindeman's criterion) for various values of the anisotropy parameter.

Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory

The electronic and magnetic structures of the LaMnO3 compound have been studied by means of periodic calculations within the framework of spin polarized hybrid density-functional theory. In order to quantify the role of approximations to electronic exchange and correlation three different hybrid functionals have been used which mix nonlocal Fock and local Dirac-Slater exchange. Periodic Hartree-Fock results are also reported for comparative purposes. The A-antiferromagnetic ground state is properly predicted by all methods including Hartree-Fock exchange. In general, the different hybrid methods provide a rather accurate description of the band gap and of the two magnetic coupling constants, strongly suggesting that the corresponding description of the electronic structure is also accurate. An important conclusion emerging from this study is that the nature of the occupied states near the Fermi level is intermediate between the Hartree-Fock and local density approximation descriptions with a comparable participation of both Mn and O states.