Effect of spin-orbit state on chemical reactivity: study of chemiluminescent and ground-state products from reaction of strontium(3PJ) with several halogen-containing molecules

1986 ◽  
Vol 108 (16) ◽  
pp. 4701-4706 ◽  
Author(s):  
Mark L. Campbell ◽  
Paul J. Dagdigian
Keyword(s):  
Ground State ◽  
Chemical Reactivity ◽  
Spin Orbit ◽  
Reactivity Study

scholarly journals First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
S. Menouer ◽  
O. Miloud Abid ◽  
A. Benzair ◽  
A. Yakoubi ◽  
H. Khachai ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermodynamic Properties ◽  
Ground State ◽  
First Principles ◽  
Essential Role ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rare Earth Compounds ◽  
First Principles Calculations ◽  
Antiferromagnetic Ground State

AbstractIn recent years the intermetallic ternary RE2MgGe2 (RE = rare earth) compounds attract interest in a variety of technological areas. We therefore investigate in the present work the structural, electronic, magnetic, and thermodynamic properties of Nd2MgGe2 and Gd2MgGe2. Spin–orbit coupling is found to play an essential role in realizing the antiferromagnetic ground state observed in experiments. Both materials show metallicity and application of a Debye-Slater model demonstrates low thermal conductivity and little effects of the RE atom on the thermodynamic behavior.

Spin-orbit interval in the ground state of F-like ions

1982 ◽  
Vol 26 (4) ◽  
pp. 1984-1987 ◽  
Author(s):  
Y. -K. Kim ◽  
K. -N. Huang
Keyword(s):  
Ground State ◽  
Spin Orbit

STRUCTURE, STABILITY, AND ELECTRONIC PROPERTIES OF LARGE FULLERENES

1993 ◽  
Vol 07 (26) ◽  
pp. 4305-4329 ◽  
Author(s):  
C.Z. WANG ◽  
B.L. ZHANG ◽  
K.M. HO ◽  
X.Q. WANG
Keyword(s):  
Total Energy ◽  
Electronic Properties ◽  
Ground State ◽  
Relative Stability ◽  
Chemical Reactivity ◽  
Structure Stability ◽  
Quantum Mechanical ◽  
Efficient Scheme ◽  
Ground State Structures ◽  
Fullerene Clusters

The recent development in understanding the structures, relative stability, and electronic properties of large fullerenes is reviewed. We describe an efficient scheme to generate the ground-state networks for fullerene clusters. Combining this scheme with quantum-mechanical total-energy calculations, the ground-state structures of fullerenes ranging from C 20 to C 100 have been studied. Fullerenes of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. In addition to the energies, the fragmentation stability and the chemical reactivity of the clusters are shown to be important in determining the abundance of fullerene isomers.

Spin-orbit splittings in 13C and 13N with the nature of the Hoyle state in 12C

2006 ◽  
Vol 21 (31n33) ◽  
pp. 2373-2382 ◽  
Author(s):  
Taiichi YAMADA ◽  
Hisashi HORIUCHI ◽  
Peter SCHUCK
Keyword(s):  
Ground State ◽  
Positive Parity ◽  
Spin Orbit ◽  
Hoyle State ◽  
Valence Nucleon

The spin-orbit splittings of 13 C and 13 N corresponding to the ground state and second 0+ state (Hoyle state) in 12 C are investigated within a 12 C +N model. The agreement of the calculated results with experiments suggests that the [Formula: see text] and [Formula: see text] states around Ex = 9 ~ 10 MeV in 13 C and 13 N can be interpreted as the spin-orbit partner with the [Formula: see text] configuration. We also discuss the positive parity states (including [Formula: see text]) of 13 C and 13 N around the [Formula: see text] threshold, indicating to have the configuration of the Hoyle state in 12 C plus a valence nucleon in sd shell.

SPIN-SPLITTING OF THE BOUND POLARON'S GROUND STATE BINDING ENERGY INDUCED BY THE RASHBA SPIN–ORBIT INTERACTION UNDER THE PERPENDICULAR MAGNETIC FIELD

2008 ◽  
Vol 22 (12) ◽  
pp. 1923-1932
Author(s):  
JIA LIU ◽  
ZI-YU CHEN
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Binding Energy ◽  
Ground State ◽  
Spin Splitting ◽  
Perpendicular Magnetic Field ◽  
Spin Orbit ◽  
Ground State Binding Energy ◽  
Bound Polaron ◽  
Rashba Spin

The influence of a perpendicular magnetic field on a bound polaron near the interface of a polar–polar semiconductor with Rashba effect has been investigated. The material is based on a GaAs / Al x Ga 1-x As heterojunction and the Al concentration varying from 0.2 ≤ x ≤ 0.4 is the critical value below which the Al x Ga 1-x As is a direct band gap semiconductor.The external magnetic field strongly altered the ground state binding energy of the polaron and the Rashba spin–orbit (SO) interaction originating from the inversion asymmetry in the heterostructure splitting of the ground state binding energy of the bound polaron. How the ground state binding energy will be with the change of the external magnetic field, the location of a single impurity and the electron area density have been shown in this paper, taking into account the SO coupling. The contribution of the phonons are also considered. It is found that the spin-splitting states of the bound polaron are more stable, and, in the condition of weak magnetic field, the Zeeman effect can be neglected.

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