Related papers: Spin-orbit coupling and rovibrational structure in…
In this article, we systematically explore several key properties of electronic states in helical materials systems, including the inheritance of orbital angular momentum (OAM) from local atomic orbitals to the entire helical structure, the…
We have developed a theoretical method for interpretation of photoionization experiments with the H_3 molecule. In the present study we give a detailed description of the method, which combines multichannel quantum defect theory, the…
Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good…
We report a neutron diffraction study of the multiferroic mechanism in (ND4)2FeCl5D2O, a molecular compound that exhibits magnetically induced ferroelectricity. This material exhibits two successive magnetic transitions on cooling: a…
We present a quantum mechanical study of the diatomic hydrogen $H(^{2}S)$ and oxygen $O(^{3}P)$ collision and energy transfer for its four molecular symmetry $(X^{2}\Pi, ^{2}\Sigma^{-}, ^{4}\Pi, ^{4}\Sigma^{-})$, which is important for the…
Octahedral Fe$^{2+}$ molecules are particularly interesting as they often exhibit a spin-crossover transition. In spite of the many efforts aimed at assessing the performances of density functional theory for such systems, an…
Dimension reduction due to the orbital ordering has recently been proposed to explain the exotic charge, magnetic and structural transitions in some three-dimensional (3D) transitional metal oxides. We present optical measurement on a…
The rotational spectrum of the molecular ion HCNH+ is revisited using double-resonance spectroscopy in an ion trap apparatus, with six transitions measured between 74 and 445 GHz. Due to the cryogenic temperature of the trap, the hyperfine…
Combining first-principles calculations and spin- and angle-resolved photoemission spectroscopy measurements, we identify the helical spin textures for three different Dirac cone states in the interfaced systems of a 2D topological…
Defect charge-state dynamics are central to both spin-photon interfaces and photoelectrical spin readout. Despite the significance of silicon vacancies (V1/V2) in silicon carbide (4H-SiC) for both applications, their ionization behavior has…
Using non relativistic effective Lagrangian techniques, we analyze the hadronic decay of the pi+pi- atom and the strong energy-level shift of pionic hydrogen in the ground state. We derive general formulae for the width and level shift,…
We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…
The electron-boson spectral density function I^2ChiOmega responsible for carrier scattering of the high temperature superconductor HgBa2CuO4 (Tc = 90 K) is calculated from new data on the optical scattering rate. A maximum entropy technique…
We investigated the electronic response of the quasi-two-dimensional spin gap compound La4Ru2O10 using optical spectroscopy. We observed drastic changes in the optical spectra as the temperature decreased, resulting in anisotropy in the…
Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…
We consider spin-orbit coupling effects in Na$_4$Ir$_3$O$_8$, a material in which Ir$^{4+}$ spins form an hyper-kagom\'{e} lattice, a three-dimensional network of corner-sharing triangles. We argue that both low temperature thermodynamic…
Aims. This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods. Spectra in the millimeter-wave band were recorded by the method of…
Electron spin resonance and magnetization data in magnetic fields up to 55 T of a novel multicenter paramagnetic molecular complex [L_2Ni_4(N_3)(O_2C Ada)_4](Cl O_4) are reported. In this compound, four Ni centers each having a spin S = 1…
We study the spin-orbit interaction effects in a one-dimensional electron system that result from the image charges in a nearby metallic gate. The nontrivial property of the image-potential-induced spin-orbit interaction (iSOI) is that it…
Nonadiabatic phenomena are investigated in the rovibrational motion of molecules confined in an infrared cavity. Conical intersections (CIs) between vibrational polaritons, similar to CIs between electronic polaritonic surfaces, are found.…