Related papers: Ab initio calculations of erbium crystal field spl…
Interfacing photonic and solid-state qubits within a hybrid quantum architecture offers a promising route towards large scale distributed quantum computing. In that respect, hybrid quantum systems combining circuit QED with ions doped into…
State-of-the-art {\em ab initio} techniques have been applied to compute the potential energy curves of the (BaRb)$^+$ molecular ion in the Born-Oppenheimer approximation. The long-range coefficients describing the electrostatic, induction,…
With their shielded 4f orbitals, rare-earth ions (REIs) offer optical and electron spin transitions with good coherence properties even when embedded in a host crystal matrix, highlighting their utility as promising quantum emitters and…
We report Zeeman infra-red spectroscopy of electronic-nuclear levels of $^5$I$_8 \rightarrow ^5$I$_7$ transitions of Ho$^{3+}$ in the C$_{\rm 4v}$(F$^-$) centre in CaF$_2$ with the magnetic field along the $\langle 111\rangle$ direction of…
We have measured transition frequencies, isotope shifts and hyperfine structure splittings in the $3 d^{2}\left({ }^{3\!}F\right) 4 s\,{ }^{4} F_J\rightarrow 3 d^{2}\left({ }^{3\!} F\right) 4 p \,^{4} G_{J+1}$ transitions in Ti$^+$ ions for…
Strong Stark splitting, which is nearly independent of the R-ions replacement, has been observed through the photoluminescence investigation of electronic ferroelectric Er1-xYbxFe2O4 (x=0, 0.8, 0.9 and 0.95). Initially multiple radiative…
To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb$_{15}$Al$_{34}$Au$_{51}$ and approximant crystal (AC) Yb$_{14}$Al$_{35}$Au$_{51}$ under pressure, we discuss the property of the…
Molecular ions formed in cold hybrid ion-atom experiments may find interesting applications ranging from precision measurements to controlled chemical reactions. Here, we investigate electronic structure of the Sr$_2^+$ molecular ion, which…
In this work, we report results from our extensive spectroscopic study on AlF and AlCl molecules, keeping in mind potential laboratory as well as astrophysical applications. We carry out detailed electronic structure calculations in both…
BiFeO$_3$ is a technologically relevant multiferroic perovskite featuring ferroelectricity and antiferromagnetism. Its lattice, magnetic, and ferroelectric degrees of freedoms are coupled to its optically active excitations and thus hold…
Molecules containing a lanthanide atom have sets of electronic states arising from excitation of an inner-shell electron. These states have received little attention, but are thought to play an important role in laser cooling of such…
The ground and some excited states of the Li atom in external uniform magnetic fields are calculated by means of our 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35 10^8 T. With increasing field strength the…
In rare-earth ion-doped crystals, inhomogeneous absorption profiles reflect the distribution of local environments experienced by individual ions. While each optical transition probes this distribution differently, their fine spectral…
We propose a fully ab initio method, the opposing crystal potential (OCP), to calculate the crystal field parameters of transition metal impurities in insulator hosts. Through constrained density functional calculations, OCP obtains the…
We characterize spectroscopic and coherence properties of the 1451.37 nm excited-state zero-phonon line (ZPL) between the $^{3}F_{4}$ and the $^{3}H_{4}$ manifolds of a thulium-doped yttrium aluminum perovskite (Tm$^{3+}$:YAlO$_3$) crystal…
We present a systematic study of the crystal field interactions in the Li$R$F$_4$, $R$ = Gd, Ho, Er, Tm and Yb, family of rare-earth magnets. Using detailed inelastic neutron scattering measurements we have been able to quantify the…
We demonstrate precision laser spectroscopy of a trapped $^{173}$Yb$^+$ ion that is not directly laser cooled by coupling it to ultracold atoms. The atomic bath continuously cools the internal degrees of freedom of the ion to its hyperfine…
Erbium dopants in crystals exhibit highly coherent optical transitions well suited for solid-state optical quantum memories operating in the telecom band. Here we demonstrate coupling of erbium dopant ions in yttrium orthosilicate to a…
Ab-initio calculations for the electronic and optical properties of single-layer (SL) tungsten disulfide (WS$_2$) in the presence of substitutional Erbium defects (Er$_{\rm W}$) are presented, where the W atom is replaced by an Er atom.…
The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active…