相关论文: Comment on ''Implementation of the LDA+U method us…

We claim that any approach neglecting the spin-orbit coupling and the orbital magnetism is not physically adequate for 3d oxides, including NiO, and that in reaching "excellent agreement" in a Phys. Rev. Lett. 93, 126406 (2004) paper too…

Magnetic properties of NiO are investigated by incorporating the spin-orbit interaction in the LSDA+U scheme. It is found that the large part of orbital moment remains unquenched in NiO. The orbital moment contributes about mu_L = 0.29 mu_B…

The so-called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U) has been implemented within the all-electron projector augmented-wave method (PAW), and then used to compute the insulating antiferromagnetic…

We present a new approach to the evaluation of the on-site repulsion energy U for use in the LDA+U method of Anisimov and collaborators. Our objectives are to make the method more firmly based, to concentrate primarily on ground state…

The orbital magnetic moment of a Co adatom on a Pt(111) surface is calculated in good agreement with experimental data making use of the LSDA+U method. It is shown that both electron correlation induced orbital polarization and structural…

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic…

In three very recent papers, (an initial paper by Morishima and Futamase, and two subsequent papers by Morishima, Futamase, and Shimizu), it has been argued that the observed experimental anomaly in the anomalous magnetic moment of the muon…

After a brief historical introduction, we dwell on two recent experiments in the low-temperature, monoclinic phase of V$_2$O$_3$: K-edge resonant x-ray scattering and non-reciprocal linear dichroism, whose interpretations are in conflict,…

Density functional band calculations have been performed to study LaNiO$_3$/LaAlO$_3$ superlattices. Motivated by recent experiments reporting the magnetic and metal-insulator phase transition as a function of LaNiO$_3$ layer thickness, we…

Magnetization of nanoparticles of NiO are measured and analyzed taking into account a distribution in particle magnetic moment. We find that disregarding this distribution in the analysis is the reason for the many anomalous observations…

The orbital and spin moment of the Ni2+ ion in NiO has been calculated within the quasi-atomic approach. The orbital moment of 0.46 mu_B amounts at 0 K, in the magnetically-ordered state, to about 20% of the total moment (2.45 mu_B). For…

Recent experiment proposed to observe induced radiative neutrino transitions are confronted to existing bounds on neutrino magnetic moments from earth-based experiments. These are found to exclude any observation by several orders of…

The relationship between the modern and classical Landau's approach to carrier orbital magnetization is studied theoretically within the envelope function approximation, taking ferromagnetic (Ga,Mn)As as an example. It is shown that while…

We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the…

In this work we reexamine the LDA+U method of Anisimov and coworkers in the framework of a plane-wave pseudopotential approach. A simplified rotational-invariant formulation is adopted. The calculation of the Hubbard U entering the…

We develop a complete relativistic theory to describe the dynamics of electronic angular momentum including both spin (S) and orbital (L) contributions in magnetic systems. We start with the relativistic Dirac-Kohn-Sham Hamiltonian under…

By this Comment we would like to point out [2] that, though such consideration can be quite sophisticated, the consideration of a spin-pseudo-spin Hamiltonian has nothing in common with the reality. It means that such the consideration are…

The orbital magnetic moment is still surprisingly not well understood, in contrast to the spin part. Its description in finite systems, such as isolated atoms and molecules, is not problematic, but it was only recently that a rigorous…

We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity of intra--atomic magnetization. The LDA+U method is used and its…

Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less commonly applied functionals. After reviewing and extending…