Related papers: Calculation of hyperfine structure in Tm II

We calculate hyperfine structure of $^{229}$Th and its ions (Th~IV, Th~III, Th~II, Th~I) to reveal the dependence of the nuclear clock frequency on the hyperfine interaction (hfi). We calculate first and second-order hfi shifts and…

Highly correlated pure {\it{ab initio}} relativistic configuration interaction theory is in the present paper applied to the calculation of the tensor-pseudotensor ${\cal{(P,T)}}$-violating nucleon-electron interaction constant in the…

We determine the stability and properties of interfaces of low-index Au surfaces adhered to TiO2(110), using density functional theory energy density calculations. We consider Au(100) and Au(111) epitaxies on rutile TiO2(110) surface, as…

We revisit the $m \alpha^6 (m/M)$ order corrections to the hyperfine splitting in the H$_2^+$ ion, and find a hitherto unrecognized second-order relativistic contribution associated with the vibrational motion of the nuclei. Inclusion of…

Large-scale $\textit{ab initio}$ calculations of the electric field gradient, which constitutes the electronic contribution to the electric quadrupole hyperfine constant $B$, were performed for the $5s^25p6s$ $^{1,3}\!P^{\rm o}_1$ excited…

In this paper we provide a detailed convergence analysis for an unconditionally energy stable, second-order accurate convex splitting scheme for the Modified Phase Field Crystal equation, a generalized damped wave equation for which the…

The complex angular momentum (CAM) calculated low-energy 0 < E < 5 eV electron elastic total cross section (TCS) for In is benchmarked through its recently measured electron affinity (Walter et al, Phys. Rev. A 82, 032507 (2010)). The TCSs…

Understanding native point defects is fundamental in order to comprehend the properties of TiO$_2$ anatase in technological applications. Several first-principles studies have been performed in order to investigate the defect chemistry of…

The atomic states of the W IX (W8+) tungsten ion lying below the W9+ ionisation threshold have been studied theoretically, employing the multiconfiguration Dirac-Hartree-Fock method with configuration interaction. The level electronic…

Configuration interaction in many-electron atoms may cause anomalies in the fine structure which make the intervals small and very sensitive to variation of the fine structure constant. Repeated precision measurements of these intervals…

The hyperfine splitting of the ground state of H-, Li-, and B-like ions is investigated in details within the range of nuclear numbers Z = 7-28. The rigorous QED approach together with the large-scale configuration-interaction…

The work presents experimental results of precision magnetoresistance dr(H,T) measurements obtained for canonical heavy fermion compounds CeAl2, CeAl3, CeCu6 and substitutional solid solutions CeCu6-xAux (x=0.1 and 0.2) and Ce(Al0.95M0.05)2…

Two-dimensional molybdenum disulfide (MoS2) is an excellent channel material for ultra-thin field effect transistors. However, high contact resistance across the metal-MoS2 interface continues to limit its widespread realization. Here,…

We report on the improved measurement of the hyperfine structure of $4f^{12}(^3 H_6)5d_{5/2}6s^2$ $(J=9/2)$ excited state in Tm-169 which is involved in the second-stage laser cooling of Tm. To measure the absolute value of the hyperfine…

Two-dimensional (2D) semiconductors are promising candidates for scaled transistors because they are immune to mobility degradation at the monolayer limit. However, sub-10 nm scaling of 2D semiconductors, such as MoS2, is limited by the…

Recent results have demonstrated an exceptionally high dielectric constant in the range 200 K-330 K in a crystalline tianium oxide : Rb2Ti2O5. In this article, the possibility of a structural transition giving rise to ferroelectricity is…

We calculate hyperfine structure intervals $\Delta E^{hfs}(2P_{1/2})$ and $\Delta E^{hfs}(2P_{3/2})$ for P-states in muonic ions of lithium, beryllium and boron. To construct the particle interaction operator in momentum space we use the…

To describe the interaction of the two level systems (TLSs) of an amorphous solid with arbitrary strain fields, we introduce a generalization of the standard interaction Hamiltonian. In this new model, the interaction strength depends on…

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has…

The static and dynamic electric-dipole polarizabilities and tune-out wavelengths for the ground state of Cs atoms are calculated by using a semiempirical relativistic configuration interaction plus core polarization approach. By considering…