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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 equivalence…

Strongly Correlated Electrons · Physics 2009-10-31 Imseok Yang , Sergej Y. Savrasov , Gabriel Kotliar

The orbital magnetic moment is usually associated with the relativistic spin-orbit interaction, but recently it has been shown that noncollinear magnetic structures can also be its driving force. This is important not only for magnetic…

Mesoscale and Nanoscale Physics · Physics 2017-09-18 Manuel dos Santos Dias , Samir Lounis

A puzzle in the iron-based superconductor LaFeAsO_{1-x}F_x is that the magnetic moment obtained by first-principle electronic structure calculations is unexpectedly much larger than the experimentally observed one. For example, the…

Superconductivity · Physics 2008-07-01 H. Nakamura , N. Hayashi , N. Nakai , M. Machida

Magnetization is thermodynamically defined as the derivative of the grand potential with respect to a uniform magnetic field. However, a uniform magnetic field makes the kinetic momentum operators noncommuting and Landau-quantizes the…

Mesoscale and Nanoscale Physics · Physics 2026-05-27 Chunli Huang

We present a theory of orbital magnetic dynamics for a chiral p-wave superconductor with broken time-reversal symmetry. In contrast to the common Landau-Lifshitz theory for spin ferromagnets, the case of orbital magnetism cannot be…

Superconductivity · Physics 2016-08-31 V. Braude , E. B. Sonin

The electronic structure of lanthanide and actinide compounds is often characterized by orbital ordering of localized $f$-electrons. Density-functional theory (DFT) studies of such systems using the currently available LDA+$U$ method are…

Strongly Correlated Electrons · Physics 2015-11-17 Fei Zhou , Vidvuds Ozolins

The contribution of a magnetized plasma to the neutrino magnetic moment is calculated. It is shown that only part of the additional neutrino energy in magnetized plasma connecting with its spin and magnetic field strength defines the…

High Energy Physics - Phenomenology · Physics 2011-01-27 N. V. Mikheev , E. N. Narynskaya

We report calculations indicating the presence of a surface magnetic moment for Rh(001), motivated by the detection of a finite moment by magnetic linear dichroism experiments. We show that, while the density functional with the local…

Materials Science · Physics 2009-11-11 N. Stojic , N. Binggeli , M. Altarelli

We criticize the model proposed by Mila et al. (Phys.Rev.Lett. 85 (2000) 1714) for the description of the V3+ ion in V2O3 by pointing out that it is completely artificial because the condition about the degenerate (doublet) orbital ground…

Strongly Correlated Electrons · Physics 2007-05-23 R. J. Radwanski , Z. Ropka

Ab initio calculations using the APW+lo method as implemented in the WIEN2k code have been used to describe the electronic structure of the quasi-one-dimensional system BaCoO3. Both, GGA and LDA+U approximations were employed to study…

Strongly Correlated Electrons · Physics 2009-11-10 V. Pardo , P. Blaha , M. Iglesias , K. Schwarz , D. Baldomir , J. E. Arias

The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2$p$) band polarization of $\simeq 0.3\ \mu_B$…

Materials Science · Physics 2015-06-23 C. Morari , F. Beiuşeanu , I. Di Marco , L. Peters , E. Burzo , S Mican , L. Chioncel

A general reformulation of the exchange energy of $5f$-shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. The calculations are performed in an efficient scheme with…

Strongly Correlated Electrons · Physics 2016-08-14 Fredrik Bultmark , Francesco Cricchio , Oscar Grånäs , Lars Nordström

It has been recently suggested by Dvali and Vikman that the superluminal neutrino phenomenology of the OPERA experiment may be due to an environmental feature of the Earth, naturally yielding a long-range fifth force of gravitational origin…

General Relativity and Quantum Cosmology · Physics 2015-03-19 Lorenzo Iorio

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 equivalence…

Materials Science · Physics 2007-05-23 I. Yang , S. Y. Savrasov , G. Kotliar

This paper has been withdrawn by the authors as the available data were not sufficient to support the conclusions

The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…

Strongly Correlated Electrons · Physics 2016-08-16 Georg K. H. Madsen , Pavel Novák

This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…

Materials Science · Physics 2007-05-23 Christoph Friedrich , Arno Schindlmayr , Stefan Blügel , Takao Kotani

The Relativistic Motion Integrator (RMI) consists in integrating numerically the EXACT relativistic equations of motion, for a given metric (corresponding to a gravitational field at first post-Newtonian order or higher), instead of…

General Relativity and Quantum Cosmology · Physics 2012-07-04 S. Pireaux , B. Chauvineau , A. Hees

Effects of orbital degeneracy on magnetic susceptibility in paramagnetic phases are investigated within a mean-field theory. Under certain crystalline electric fields, the magnetic moment consists of two independent moments, e.g., spin and…

Strongly Correlated Electrons · Physics 2009-08-11 Katsunori Kubo , Takashi Hotta

In this review article, we survey the relatively new theory of orbital magnetization in solids-often referred to as the "modern theory of orbital magnetization"-and its applications. Surprisingly, while the calculation of the orbital…

Materials Science · Physics 2015-03-19 T. Thonhauser