相关论文: Capability of the free-ion eigenstates for crystal…

The second moment of the sublevels within the initial state | \alpha SLJ > which constitutes a natural and adequate measure of the crystal-field (CF) effect can be redefined as sigma^{2}=1/(2J+1)\sum_{k} S_{k}^{2} A_{k}^{2}, where…

The relationship between the energy total splitting $\Delta E$ of the free-ion electron states in the axial crystal-fields and the second moment of that splitting $\sigma^{2}$ is thoroughly investigated. The non-Kramers and Kramers states…

The physically correct parametrization of the energy levels of transition ions in crystals in terms of crystal-field (CF) Hamiltonians ${\cal H}_{\rm CF}=\sum_{k}\sum_{q}B_{kq}C_{q}^{(k)}$ has to be based on the CF parameters $B_{kq}$ that…

Neutron time-of-flight spectroscopy has been employed to study the crystal-field splitting of Pr$^{3+}$ in the pyrochlore stannate Pr$_{2}$Sn$_{2}$O$_{7}$. The crystal field has been parameterized from a profile fit to the observed neutron…

Relativistic coupled-cluster calculations of the ionization potential, dissociation energy, and excited electronic states under 35,000 cm$^{-1}$ are presented for the actinium monofluoride (AcF) molecule. The ionization potential is…

The energy-level scheme and wave functions of the titanium ions in LaTiO$_{3}$ are calculated using crystal-field theory and spin-orbit coupling. The theoretically derived temperature dependence and anisotropy of the magnetic susceptibility…

We calculate scalar static polarizabilities for lanthanides and actinides, the atoms with open $4f$ or $5f$ subshell. We show that polarizabilities of the low states are approximately the same for all states of given configuration and…

Anisotropic antiferromagnets in an external magnetic field show a rich variety of different ground states meeting in transition lines and multicritical points. We study the dependence of the ground states of these systems in the three…

We establish a quantitative relation between the altermagnetic spin-splitting and different higher order multipoles of the charge and magnetization density around the magnetic atoms. Magnetic multipoles such as octupoles or triakontadipoles…

CeRh$_3$Si$_2$ has been reported to exhibit metamagnetic transitions below 5~K, a giant crystal field splitting, and anisotropic magnetic properties from single crystal magnetization and heat capacity measurements. Here we report results of…

We have succeeded in synthesizing of single crystals of a new intermetallic compound, Ce$_{3}$Rh$_{4}$Pb$_{13}$. Magnetic susceptibility measurements indicate that the Ce moments are highly localized, despite the metallic character of the…

In the presence of a perpendicular magnetic field, ABC-stacked trilayer graphene's chiral band structure supports a 12-fold degenerate N=0 Landau level (LL). Along with the valley and spin degrees of freedom, the zeroth LL contains…

Experimental cross sections for $m$-fold photodetachment ($m=3-6$) of silicon anions via $K$-shell excitation and ionization were measured in the photon-energy range of 1830-1900 eV using the photon-ion merged-beams technique at a…

Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO$_3$ perovskites (R = Pr, Nd, M = Ga, Co) are calculated by expanding the local Hamiltonian expressed in the basis of Wannier functions into a series of…

The photon-ion merged-beams technique was used at a synchrotron light source for measuring absolute cross sections of double and triple photodetachment of O$^{-}$ ions. The experimental photon energy range of 524-543 eV comprised the…

We analyze the equilibrium states of quantum lattice model with local multi-well potentials for Sn$_2$P$_2$S$_6$ ferroelectric crystals using the mean and Gaussian curvatures ($H$, $K$), curvedness ($C$) and shape index ($S$). From the…

The first three electronically excited states in the alkaline-earth-metal atoms magnesium, calcium, and strontium comprise the (nsnp) triplet P^o_J (J=0,1,2) fine-structure manifold. All three states are metastable and are of interest for…

In this work, we propose new field-free estimators for static field-gradient polarizabilities in finite temperature PIMC simulation. Namely, dipole--quadrupole polarizability $A$, dipole--dipole--quadrupole polarizability $B$ and…

Atoms and ions of Lanthanides have multiple opens shells along with an open $4f^k$ subshell. This paper studies the effect of electron correlation in such systems and how wave functions can be determined for the accurate prediction of…

We present revised measurements of the static electric dipole polarizabilities of K, Rb, and Cs based on atom interferometer experiments presented in [Phys. Rev. A 2015, 92, 052513] but now re-analyzed with new calibrations for the…