Photoemission of CO/CU(100). Non-Relativistic Spin- and Angle-Resolved Normal Emission

1991 ◽  
Vol 253 ◽  
Author(s):  
R. Schneeweiss ◽  
U. König ◽  
J. Redinge ◽  
P. Weinberger ◽  
C. M. Schneider ◽  
...  
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Spin ◽  
Spin Polarized ◽  
Photoemission Data ◽  
Spin Polarisation

ABSTRACTThe Co/Cu(100) system is the first system known where the contributions to the spin polarisation of spin-orbit coupling and the ferromagnetic overlayer were clearly distinguished experimentally. In order to get a first understanding of the photoemission data non-relativistic spin-polarized photoemission calculations are performed for one and two overlayers of Co on Cu(100).

Implications and Applications of Relativistic Spin-Polarized Multiple Scattering

1991 ◽  
Vol 253 ◽  
Author(s):  
G. Hörmandinger ◽  
P. Weinberger
Keyword(s):  
Electronic Structure ◽  
Multiple Scattering ◽  
Function Method ◽  
Electronic Structure Calculations ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Spin ◽  
Spin Polarized ◽  
Structure Calculations

ABSTRACTThe consideration of spin-orbit coupling in spin-polarized electronic structure calculations leads to magnetic anisotropies and reduces the symmetry of the problem. The theory of magnetic groups is required to make full use of the remaining symmetry, which in turn then is applied to the Green's function method.

Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au)

2017 ◽  
Vol 31 (32) ◽  
pp. 1750263 ◽  
Author(s):  
Rashid Iqbal ◽  
Zahid Ali ◽  
S. Jalali-Asadabadi ◽  
Iftikhar Ahmad
Keyword(s):  
Intermetallic Compounds ◽  
Density Functional ◽  
Structural Parameters ◽  
Orbit Coupling ◽  
Ferromagnetic Phase ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Exchange Correlation ◽  
Spin Polarized ◽  
Highly Correlated

Spin-polarized density functional calculations are performed to study the correlation and spin-orbit coupling (SOC) effects in scandium intermetallic compounds viz. ScTM (TM[Formula: see text]=[Formula: see text]Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au) using FP-LAPW[Formula: see text]+[Formula: see text]lo method. The LDA, LDA[Formula: see text]+[Formula: see text]U and LDA[Formula: see text]+[Formula: see text]U[Formula: see text]+[Formula: see text]SOC exchange-correlation functionals are used to calculate the structural parameters and we found that the LDA[Formula: see text]+[Formula: see text]U results are consistent with the experiments. The electronic properties reveal that these compounds are metallic in nature. Correlations effects are determined using the U/W ratio and we found that ScCo, ScIr, ScPd, ScPt, ScCu and ScAg are highly correlated compounds, whereas ScRh, ScNi and ScAu are intermediately correlated compounds. Furthermore, stable magnetic phase for each compound is optimized, which reveals that ScCo, ScRh, ScPd, ScPt and ScCu are stable in ferromagnetic phase, ScIr, ScNi and ScAu are anti-ferromagnetic, whereas ScAg is a nonmagnetic material.

Relativistic Spin−Orbit Coupling Effects on Secondary Isotope Shifts of13C Nuclear Shielding in CX2(X = O, S, Se, Te)

2002 ◽  
Vol 124 (11) ◽  
pp. 2762-2771 ◽  
Author(s):  
Perttu Lantto ◽  
Juha Vaara ◽  
Anu M. Kantola ◽  
Ville-Veikko Telkki ◽  
Bernd Schimmelpfennig ◽  
...  
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Isotope Shifts ◽  
Relativistic Spin ◽  
Nuclear Shielding

Spin–orbit coupling prevents spin channel suppression of transition metal atoms on armchair graphene nanoribbons

2018 ◽  
Vol 20 (47) ◽  
pp. 29826-29832 ◽  
Author(s):  
W. Y. Rojas ◽  
Cesar E. P. Villegas ◽  
A. R. Rocha
Keyword(s):  
Density Functional ◽  
Graphene Nanoribbons ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Functional Theory ◽  
Transition Metal Atoms ◽  
Spin Polarized ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene

We investigate the spin-dependent electronic and transport properties of armchair graphene nanoribbons including spin–orbit coupling due to the presence of nickel and iridium adatoms by using ab initio calculations within the spin-polarized density functional theory and non-equilibrium Green's function formalism.

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