Related papers: Hyperfine Interaction in USb2 Crystal
The varying metallic antiferromagnetic correlations observed in iron-based superconductors are unified in a model consisting of both itinerant electrons and localized spins. The decisive factor is found to be the sensitive competition…
The interaction between gaseous uranium dicarbide and graphite is significant for the safety control and design of Gen-IV nuclear energy system. In this article, the interaction mechanism has been studied using a simplified model of…
The magnetic hyperfine (MHF) structure of the $5/2^+$(0.0 eV) ground state and the low-lying $3/2^+$(7.8 eV) isomeric state of the $^{229}$Th nucleus in highly charged ions Th$^{89+}$ and Th$^{87+}$ is calculated. The distribution of the…
The quality of HFB wave functions are tested by comparing the theoretically calculated results with the available experimental data for a number of spectroscopic properties like yrast spectra, reduced B(E2) transition probabilities,…
We have carried out density-functional theory (DFT) calculations for the chromium pnictide BaCr2P2, which is structurally analogous to BaFe2As2, a parent compound for iron-pnictide superconductors. Evolutionary methods combined with DFT…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
To unravel the interplay between the strong electronic correlation and itinerant-localized dual nature in atypical f electron systems, we employed the density functional theory in combination with the single-site dynamical mean-field theory…
Optical orientation of electron and hole spins by circularly polarized light is investigated for MAPbI$_3$ single crystals. The Hanle and polarization recovery effects measured in transverse and longitudinal magnetic fields, respectively,…
We report on the magnetic and Mossbauer properties of polycrystalline HoFe1-xCrxO3 compounds. Magnetization data reveals the continuous tailoring of magnetic transition due to weakening of Ho3+ Fe3+ and Fe3+ Fe3+ interactions in the entire…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
We present theoretical description of conduction electrons interacting with a domain wall in ferromagnetic metals. The description takes into account interaction between electrons. Within the semiclassical approximation we calculate the…
We present a DFT+U-type functional for strong correlation, derived from multiconfigurational wavefunction theory. The reference system experiences electron-electron interactions only in DFT+U-type atomic states, yielding a block-localized…
Accurate prediction of muon hyperfine constants is useful for interpreting muon spin spectroscopy data, yet standard methods such as density functional theory (DFT) compute muon-electron pair density functions, and thus hyperfine constants,…
Uranium dipnictide USb$_2$ reflects enigmatic properties posing a substantial challenge for a microscopic modeling. Among others, it develops a nonstandard antiferromagnetic order of a $\uparrow\downarrow\downarrow\uparrow$-type along [001]…
Heavy Fermion physics deals with the ground state formation and interactions in f-electron materials where the electron effective masses are extremely large, more than 100 times the rest mass of an electron. The details of how the…
The effective on-site Coulomb interaction (Hubbard $U$) between localized \textit{d} electrons in 3\textit{d}, 4\textit{d}, and 5\textit{d} transition metals is calculated employing a new parameter-free realization of the constrained…
The electronic and magnetic properties of the hexanuclear ferric wheel [LiFe6(OCH3)12-(dbm)6]PF6 have been studied with all-electron Hartree-Fock and full-potential density functional calculations. The best agreement for the magnetic…
We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using…
The hyperfine structure of 5snd ^1D_2 states in ^{87}Sr was studied for principal quantum numbers 11 <= n <= 25 by Doppler-free two-photon excitation combined with thermionic detection. Based on the more accurate data, compared to previous…
Single crystal neutron diffraction, inelastic neutron scattering, bulk magnetization measurements, and first-principles calculations are used to investigate the magnetic properties of the honeycomb lattice $\rm Tb_2Ir_3Ga_9$. While the…