Rotational Analysis of the PH and PD A3Πi–X3Σ− Band Systems

1974 ◽  
Vol 52 (14) ◽  
pp. 1274-1287 ◽  
Author(s):  
J. Rostas ◽  
D. Cossart ◽  
J. R. Bastien
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Simple Model ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Centrifugal Distortion ◽  
Coupling Parameters ◽  
Spin Orbit Interactions

PH and PD radicals have been produced in a Schüler type discharge through PH3 and PD3. Besides the already known (0–0) bands of PH and PD, new bands, namely the (0–1) band of PH and the (1–0) and (1–1) bands of PD have been photographed in emission, under high resolution. Rotational analyses have been performed for these six bands and also for the (1–0) band of PH analyzed earlier by Legay in absorption. The 3Π and 3Σ states fine structure has been interpreted by a simple model, which includes spin–spin, and second-order spin–orbit interactions and also centrifugal distortion effects both on rotational and spin–orbit coupling parameters. The ν dependence of the different molecular parameters has been examined and interpreted where possible.

scholarly journals The role of spin–orbit effects in the mobility of N+ ions moving in a helium gas at low temperature

2020 ◽  
Vol 74 (7) ◽  
Author(s):  
Lamia Aïssaoui ◽  
Peter J. Knowles ◽  
Moncef Bouledroua
Keyword(s):  
Low Temperature ◽  
Cross Sections ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Temperature Model ◽  
Helium Gas ◽  
Spin Orbit Interactions ◽  
High Level

Abstract The mobility of N+ ions in ground-state helium gas at very low temperature is examined with explicit inclusion of spin–orbit coupling effects. The ionic kinetics is treated theoretically with the three-temperature model. The N+–He interaction potentials, including spin–orbit coupling, are determined using high-level ab initio calculations. Then, the classical and quantal transport cross sections, both needed in the computation of the mobility coefficients, are calculated in terms of the collisional energy of the N+–He system. The numerical results, at temperature 4.3 K, show the spin–orbit interactions have negligible effect on the mobility coefficients. Graphical abstract

scholarly journals High-Resolution Photoemission on Sr2RuO4 Reveals Correlation-Enhanced Effective Spin-Orbit Coupling and Dominantly Local Self-Energies

2019 ◽  
Vol 9 (2) ◽  
Author(s):  
A. Tamai ◽  
M. Zingl ◽  
E. Rozbicki ◽  
E. Cappelli ◽  
S. Riccò ◽  
...  
Keyword(s):  
High Resolution ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Effective Spin

scholarly journals Spin-orbit coupling and magnetic spin states in cylindrical quantum dots

2004 ◽  
Vol 825 ◽  
Author(s):  
C. F. Destefani ◽  
Sergio E. Ulloa ◽  
G. E. Marques
Keyword(s):  
Quantum Dots ◽  
Orbit Coupling ◽  
Spin States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Dimensional Electron ◽  
Magnetic Spin ◽  
Electron Quantum ◽  
Dimensional Electron Gas ◽  
Spin Orbit Interactions

We make a detailed analysis of each possible spin-orbit coupling of zincblende narrow-gap cylindrical quantum dots built in a two-dimensional electron gas. These couplings are related to both bulk (Dresselhaus) and structure (Rashba) inversion asymmetries. We study the competition between electron-electron and spin-orbit interactions on electronic properties of 2-electron quantum dots.

First rotational analysis of the A2Π-X2Π system of the P35Cl+ cation

1987 ◽  
Vol 65 (5) ◽  
pp. 980-983 ◽  
Author(s):  
John A. Coxon ◽  
Stavros Naxakis ◽  
Utpal K. Roychowdhury
Keyword(s):  
Least Squares ◽  
Band System ◽  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Entire Data

The visible A2Π → X2Π band system of PCl+ has been recorded photoelectrically with a resolution of 0.006 nm. Fourteen 2Π1/2–2Π1/2 and six 2Π3/2–2Π3/2 sub-bands of P35Cl+ in the ν′ = 0 and 1 progressions with 10 ≤ ν″ ≤ 20 have been rotationally analysed. The measured positions of 1214 lines have been fitted directly by least squares to obtain a set of reliable constants for the two states that reproduce the entire data. These constants include the first estimated spin–orbit coupling constants for both states. The reliability of these estimates is discussed. The equilibrium internuclear separations are re(X) = 0.1900 and re(A) = 0.2334 nm.

scholarly journals Moiré Engineering of Spin-Orbit Coupling in Twisted Platinum Diselenide

2022 ◽  
Author(s):  
Lennart Klebl ◽  
Qiaoling Xu ◽  
Ammon Fischer ◽  
Lede Xian ◽  
Martin Claassen ◽  
...  
Keyword(s):  
Large Scale ◽  
Charge Density Waves ◽  
Orbit Coupling ◽  
Transition Metal Dichalcogenide ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Functional Renormalization Group ◽  
Ab Initio Simulations ◽  
Rashba Spin ◽  
Spin Orbit Interactions

Abstract We study the electronic structure and correlated phases of twisted bilayers of platinum diselenide using large-scale ab initio simulations combined with the functional renormalization group. PtSe2 is a group-X transition metal dichalcogenide, which hosts emergent flat bands at small twist angles in the twisted bilayer. Remarkably, we find that moiré engineering can be used to tune the strength of Rashba spin-orbit interactions, altering the electronic behavior in a novel manner. We reveal that an effective triangular lattice with a twist-controlled ratio between kinetic and spin-orbit coupling scales can be realized. Even dominant spin-orbit coupling can be accessed in this way and we discuss consequences for the interaction driven phase diagram, which features pronounced exotic superconducting and entangled spin-charge density waves.

Infrared and Visible Emission Spectrum of the NO Molecule. The 2Δ–2Π Bands of the 3d–3p and 4d–3p Transitions between Rydberg Complexes

1971 ◽  
Vol 49 (1) ◽  
pp. 76-89 ◽  
Author(s):  
F. Ackermann
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Rydberg State ◽  
Energy Levels ◽  
Rydberg States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Mixed States ◽  
Doublet Splitting

The two mutually related bands B′2Δ–C2Π (7,0) → N2Δ–C2Π (0,0) and N2Δ–C2Π (0,0) → B′2Δ–C2Π (7,0) are observed with high resolution between 6620 and 6520 Å in the emission spectrum of the NO molecule. They are the 2Δ–2Π part of the 4d–3p transitions between the two Rydberg states N2Δ(4dδ) and C2Π (3pπ) of the molecule. A rotational analysis is carried out for both bands, and the very close similarity of the structure of these bands with the structure of the corresponding 2Δ–2Π bands of the 3d–3p transitions, observed in the infrared, is demonstrated. The two upper levels in these nd–3p transitions represent examples of mixed states showing complete changeover with increasing rotation from the Rydberg type with no spin–orbit coupling (AR = 0.00 ± 0.05 cm−1) to an inverted valence type and vice versa. The behavior of the doublet splitting is studied with regard to this changeover. The lower levels of the Rydberg state C2Π also are mixtures with levels of a valence state. The mixing with B2Π (ν = 7) is comparatively small in the C2Π (ν = 0) level, but it strongly affects the energy levels with the lowest J values. The beginning of one of the two bands observed in the visible, therefore, forms the (7,7) band of the system B′2ΔB2Π. Constants of the states involved are determined.

Ground state properties of actinide dioxides: A self-consistent Hubbard U approach with spin orbit coupling

2017 ◽  
Vol 06 (01) ◽  
pp. 1750006 ◽  
Author(s):  
A. Bouasria ◽  
A. Zaoui ◽  
S. Ait Abderrahmane ◽  
S. Kacimi ◽  
A. Boukortt ◽  
...  
Keyword(s):  
Magnetic Phase ◽  
Relativistic Effects ◽  
Coulomb Repulsion ◽  
Band Gaps ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Electronic Density ◽  
Spin Orbit Interactions ◽  
Good Agreement

Using Perdew–Burke–Ernzerhof [Formula: see text] formalism, we present a systematic study of the magnetic phase stability, mechanical properties, electronic density of states and band gaps of actinide dioxides ([Formula: see text]). Relativistic effects are also considered via the spin orbit coupling. The [Formula: see text] electrons behavior has been investigated as a function of the Coulomb repulsion [Formula: see text]. Lattice parameters, elastic constants and band gaps of [Formula: see text] are consistently in good agreement with the available experimental data. From [Formula: see text] calculations, all [Formula: see text] are found to be semiconductors or insulators. Our results show that the strong correlation treatment by the Coulomb potential and the spin orbit interactions are necessary to predict the accurate electronic structure of this series of materials.

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