scholarly journals Spin−Orbit Splittings in the Third-Row Transition Elements:  Comparison of Effective Nuclear Charge and Full Breit−Pauli Calculations

2001 ◽  
Vol 105 (35) ◽  
pp. 8262-8268 ◽  
Author(s):  
Shiro Koseki ◽  
Dmitri G. Fedorov ◽  
Michael W. Schmidt ◽  
Mark S. Gordon
Keyword(s):  
Nuclear Charge ◽  
Spin Orbit ◽  
Transition Elements ◽  
Effective Nuclear Charge ◽  
The Third

Tetra-hydrides of the third-row transition elements: spin–orbit coupling effects on geometrical deformation in WH4 and OsH4

2007 ◽  
Vol 120 (1-3) ◽  
pp. 85-94 ◽  
Author(s):  
Taka-aki Hisashima ◽  
Takeshi Matsushita ◽  
Toshio Asada ◽  
Shiro Koseki ◽  
Azumao Toyota
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Transition Elements ◽  
Coupling Effects ◽  
The Third

Physics of Spin-Orbit-Coupled Oxides

2021 ◽  
Author(s):  
Gang Cao ◽  
Lance DeLong
Keyword(s):  
Giant Magnetoresistance ◽  
Degrees Of Freedom ◽  
High Temperature Superconductivity ◽  
Transition Element ◽  
Spin Orbit ◽  
Transition Elements ◽  
Crystalline Electric Field ◽  
Magnetic Exchange ◽  
Spin Orbit Interactions ◽  
Strong Spin

Prior to 2010, most research on the physics and chemistry of transition metal oxides was dominated by compounds of the 3d-transition elements such as Cr, Mn, Fe, Co, Ni, and Cu. These materials exhibited novel, important phenomena that include giant magnetoresistance in manganites, as well as high-temperature superconductivity in doped La2CuO4 and related cuprates. The discovery in 1994 of an exotic superconducting state in Sr2RuO4 shifted some interest toward ruthenates. Moreover, the realization in 2008 that a novel variant of the classic Mott metal-insulator transition was at play in Sr2IrO4 provided the impetus for a burgeoning group of studies of the influence of strong spin-orbit interactions in “heavy” (4d- and 5d-) transition-element oxides. This book reviews recent experimental and theoretical evidence that the physical and structural properties of 4d- and 5d-oxides are decisively influenced by strong spin-orbit interactions that compete or collaborate with comparable Coulomb, magnetic exchange, and crystalline electric field interactions. The combined effect leads to unusual ground states and magnetic frustration that are unique to this class of materials. Novel couplings between the orbital/lattice and spin degrees of freedom, which lead to unusual types of magnetic order and other exotic phenomena, challenge current theoretical models. Of particular interest are recent investigations of iridates and ruthenates focusing on strong spin-orbit interactions that couple the lattice and spin degrees of freedom.

A Procedure to Obtain the Effective Nuclear Charge from the Atomic Spectrum of Sodium

1999 ◽  
Vol 76 (9) ◽  
pp. 1269
Author(s):  
O. Sala ◽  
Koiti Araki ◽  
L. K. Noda
Keyword(s):  
Nuclear Charge ◽  
Effective Nuclear Charge ◽  
Atomic Spectrum

Spin–Orbit Coupling Constants in Atoms and Ions of Transition Elements: Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods

2019 ◽  
Vol 123 (12) ◽  
pp. 2325-2339 ◽  
Author(s):  
Shiro Koseki ◽  
Nikita Matsunaga ◽  
Toshio Asada ◽  
Michael W. Schmidt ◽  
Mark S. Gordon
Keyword(s):  
Coupling Constants ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Transition Elements ◽  
Model Core Potentials ◽  
Effective Core Potentials

Screening Percentages Based on Slater Effective Nuclear Charge as a Versatile Tool for Teaching Periodic Trends

2001 ◽  
Vol 78 (5) ◽  
pp. 635 ◽  
Author(s):  
Kimberley A. Waldron ◽  
Erin M. Fehringer ◽  
Amy E. Streeb ◽  
Jennifer E. Trosky ◽  
Joshua J. Pearson
Keyword(s):  
Nuclear Charge ◽  
Effective Nuclear Charge ◽  
Versatile Tool

Untersuchung zur externen Spin-Bahn-Kopplung bei aromatischen Molekülen / External Spin-Orbit-Coupling in Aromatic Molecules

1976 ◽  
Vol 31 (7) ◽  
pp. 748-753
Author(s):  
J. Friedrich ◽  
G. Weinzierl ◽  
F. Dörr
Keyword(s):  
Nuclear Charge ◽  
Heavy Atom ◽  
Orbit Coupling ◽  
Coupling Mechanism ◽  
Intermolecular Distance ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Overlap Integrals ◽  
Aromatic Molecules ◽  
Atom Effect

Abstract The influence of ethylhalogenes on the polarization of the phosphorescence of naphthalene was studied by means of the photoselection technique. It is shown that with increasing concentration and with increasing nuclear charge of the heavy atom the phosphorescence of naphthalene becomes increasingly depolarized. The influence of the external heavy atom on the Tx- and Tz- substate is stronger than on the Ty-substate. From the concentration dependence of the depolarizatign conclusions concerning the mechanism of the external spin-orbit-coupling are drawn. The dirept spin-orbit-coupling mechanism is ruled out. In the model discussed the variation of the external heavy atom effect with the intermolecular distance is related to overlap integrals.

Calculating the effective nuclear charge for a slater orbital from physical screening concepts

1992 ◽  
Vol 32 (4) ◽  
pp. 455-461
Author(s):  
A. I. Ermakov
Keyword(s):  
Nuclear Charge ◽  
Effective Nuclear Charge ◽  
Slater Orbital

The Effect of Spin-Orbit Splitting on the Third-Order Nonlinear Optical Susceptibility in CdSe/ZnS Quantum Dot Materials

2010 ◽  
Vol 663-665 ◽  
pp. 158-161
Author(s):  
Chun Jing Yu ◽  
Xiao Zhen Guo ◽  
Duan Zheng Yao
Keyword(s):  
Quantum Dot ◽  
Nonlinear Optical ◽  
Spin Orbit ◽  
Third Order ◽  
Orbit Splitting ◽  
Nonlinear Optical Susceptibility ◽  
The Third ◽  
Mass Approximation ◽  
Optical Susceptibility ◽  
Spin Orbit Splitting

The nonlinear optical susceptibility with inter-subband transitions between conduction band and valence band is theoretically calculated for CdSe/ZnS core-shell quantum dot (QD). Under the effective-mass approximation, the eigenenergy and wavefunction of electrons and holes have been calculated by solving stationary Schrödinger equation. The third-order nonlinear optical susceptibilities χ(3) of quadratic electro-optic effects (QEOE) have been also calculated in the case that spin-orbit splitting is considered.

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