Journal Article10.1021/CR300500Z
Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.
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Handling Magnetic Coupling in Trinuclear Cu(II) Complexes.
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References
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao,Donald G. Truhlar +1 more
TL;DR: The M06-2X meta-exchange correlation function is proposed in this paper, which is parametrized including both transition metals and nonmetals, and is a high-non-locality functional with double the amount of nonlocal exchange.
Self-interaction correction to density-functional approximations for many-electron systems
John P. Perdew,Alex Zunger +1 more
TL;DR: In this paper, the self-interaction correction (SIC) of any density functional for the ground-state energy is discussed. But the exact density functional is strictly selfinteraction-free (i.e., orbitals demonstrably do not selfinteract), but many approximations to it, including the local spin-density (LSD) approximation for exchange and correlation, are not.
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TL;DR: In this paper, Ba−La−Cu−O system, with the composition BaxLa5−xCu5O5(3−y) have been prepared in polycrystalline form, and samples with x=1 and 0.75,y>0, annealed below 900°C under reducing conditions, consist of three phases, one of them a perovskite-like mixed-valent copper compound.
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TL;DR: This review describes a new paradigm of electronics based on the spin degree of freedom of the electron, which has the potential advantages of nonvolatility, increased data processing speed, decreased electric power consumption, and increased integration densities compared with conventional semiconductor devices.
11.8K
Spintronics: Fundamentals and applications
TL;DR: Spintronics, or spin electronics, involves the study of active control and manipulation of spin degrees of freedom in solid-state systems as discussed by the authors, where the primary focus is on the basic physical principles underlying the generation of carrier spin polarization, spin dynamics, and spin-polarized transport.