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The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…

Materials Science · Physics 2015-10-05 G. E. Grechnev , A. A. Lyogenkaya , O. V. Kotlyar , A. S. Panfilov , V. P. Gnezdilov

Recent progress in the field of spin physics of high energy particle interactions is reviewed with particular emphasis on the spin structure functions as measured in polarized deep inelastic lepton-nucleon scattering (DIS). New measurements…

High Energy Physics - Experiment · Physics 2011-07-19 Uta Stosslein

Organic charge transfer salts show a variety of complex phases ranging from antiferromagnetic long-range order, spin liquid, bad metal or even superconductivity. A powerful method to investigate magnetism is spin-polarized inelastic neutron…

Materials Science · Physics 2014-07-29 Francesc Salvat-Pujol , Harald O. Jeschke , Roser Valenti

On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extracted from the momentum-dependence of the inelastic neutron…

The theoretical framework for a next-to-leading order QCD analysis of the spin-dependent parton densities Delta f^{gamma}(x,Q^2) of the longitudinally polarized photon and of its structure function g_1^{gamma}(x,Q^2) is reviewed in some…

High Energy Physics - Phenomenology · Physics 2007-05-23 M. Stratmann

The interplay between structural and magnetic properties of nanostructured magnetic materials allows to realize unconventional magnetic effects, which results in a demand for experimental techniques to determine the magnetization profile…

Mesoscale and Nanoscale Physics · Physics 2020-04-08 Dirk Honecker , Luis Fernández Barquín , Philipp Bender

An update is given on the experimental values of the magnetic hyperfine structure and the Bohr-Weisskopf effect in muonic atoms. The need for more measurements and systematic calculations is discussed to allow the differentiation of…

Nuclear Theory · Physics 2025-11-27 J. R. Persson

Neutron structure functions can be extracted from proton and deuteron data and a representation of the deuteron structure. This procedure does not require DIS approximations or quark structure assumptions. We find that the results depend…

Nuclear Theory · Physics 2008-12-18 J. Arrington , F. Coester , R. J. Holt , T. -S. H. Lee

A series of first principles calculations have been carried out in order to discuss electronic structure, phonon dynamics, structural instabilities and the nature of martensitic transformations of the Heusler alloys Ni$_2$Mn(Ga, Ge, Al) and…

Materials Science · Physics 2009-11-10 A. T. Zayak , P. Entel

57Fe Mossbauer spectroscopy measurements were performed on a powdered CuFe2Ge2 sample that orders antiferromagnetically at ~ 175 K. Whereas a paramagnetic doublet was observed above the Neel temperature, a superposition of paramagnetic…

Materials Science · Physics 2018-03-14 Sergey L. Bud'ko , Na Hyun Jo , Savannah S. Downing , Paul C. Canfield

Methods based on the combination of the usual density functional theory (DFT) codes with the Hubbard models are widely used to investigate the properties of strongly correlated materials. Using first-principle calculations we study the…

Materials Science · Physics 2015-08-04 Christos Tsirogiannis , Iosif Galanakis

Phonon spectra of detwinned {SrFe$_2$As$_2$} crystals, as measured by inelastic x-ray scattering, show clear anisotropy accompanying the magneto-structural transition at 200 K. We model the mode splitting using magnetic DFT calculations,…

The ground state properties and neutron structure factor for the two-dimensional antiferromagnet on the triangular lattice, with uni-directional anisotropy in the nearest-neighbor exchange couplings and a weak Dzyaloshinskii-Moriya (DM)…

Strongly Correlated Electrons · Physics 2009-11-11 Denis Dalidovich , Rastko Sknepnek , A. John Berlinsky , Junhua Zhang , Catherine Kallin

Motivated by the recent discovery of anomalously large magnetic response of chiral phonons in dipolar magnets, we explore an extension to study Einstein quantum phonon modes coupled to multipolar moments. We consider the case of non-Kramers…

Strongly Correlated Electrons · Physics 2025-06-25 Ruairidh Sutcliffe , Kathleen Hart , Swati Chaudhary , Arun Paramekanti

Using data from a recent reanalysis of neutron structure functions extracted from inclusive proton and deuteron deep-inelastic scattering (DIS), we re-examine the constraints on the shape of the $\bar d-\bar u$ asymmetry in the proton at…

High Energy Physics - Phenomenology · Physics 2020-01-31 A. Accardi , C. E. Keppel , S. Li , W. Melnitchouk , J. F. Owens

In order to explore the driving mechanism of the concomitant metal-insulator and structural transitions in quasi-one-dimensional hollandite K$_{2}$Cr$_{8}$O$_{16}$, electronic structures and phonon properties are investigated by employing…

Strongly Correlated Electrons · Physics 2014-12-05 Sooran Kim , Kyoo Kim , B. I. Min

Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…

Nuclear Theory · Physics 2023-08-03 Gianluca Colo' , Kouichi Hagino

The phonon and electronic properties, the Eliashberg function and the temperature dependence of resistance of electride Ca2N are investigated by the DFT-LDA plane-wave method. The phonon dispersion, the partial phonon density of states and…

Materials Science · Physics 2019-01-16 B. N. Mavrin , M. E. Perminova , Yu. E. Lozovik

Density functional theory is generalized to incorporate electron-phonon coupling. A Kohn-Sham equation yielding the electronic density $n_U(\mathbf{r})$, a conditional probability density depending parametrically on the phonon normal mode…

Materials Science · Physics 2019-04-25 Ryan Requist , C. R. Proetto , E. K. U. Gross

Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and electronic properties of a BCN monolayer. The aforementioned…

Materials Science · Physics 2022-06-22 Bohayra Mortazavi , Fazel Shojaei , Mehdi Neek-Amal
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