scholarly journals Spin–orbit effects in optical spectra of gold–silver trimers

2018 ◽  
Vol 20 (14) ◽  
pp. 9108-9114 ◽  
Author(s):  
A. Shayeghi ◽  
L. F. Pašteka ◽  
D. A. Götz ◽  
P. Schwerdtfeger ◽  
R. Schäfer
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Optical Spectra ◽  
Spin Orbit ◽  
Transfer Effects ◽  
Gold Silver ◽  
Cationic Gold

Photodissociation spectra of cationic gold–silver trimers are analysed using relativistic electronic structure theories paying special attention to the importance of spin–orbit and charge transfer effects.

Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study

2014 ◽  
Vol 16 (15) ◽  
pp. 7031-7036 ◽  
Author(s):  
Yu̅suke Nanba ◽  
Daisuke Asakura ◽  
Masashi Okubo ◽  
Haoshen Zhou ◽  
Kenta Amemiya ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Sodium Nitroprusside ◽  
Absorption Spectroscopy ◽  
Configuration Interaction ◽  
Cluster Model ◽  
Spectroscopy Study ◽  
Transfer Effects ◽  
X Ray ◽  
X Ray Absorption

The electronic structure of Na2[Fe(CN)5NO]·2H2O (sodium nitroprusside: SNP) was investigated by using soft X-ray absorption (XA) spectroscopy and a configuration-interaction full-multiplet calculation for the [Fe(CN)5NO]2−cluster model.

EPR and optical spectra ofYb3+inCsCdBr3:Charge-transfer effects on the energy-level structure ofYb3+in the symmetrical pair centers

2000 ◽  
Vol 62 (11) ◽  
pp. 7063-7070 ◽  
Author(s):  
B. Z. Malkin ◽  
A. M. Leushin ◽  
A. I. Iskhakova ◽  
J. Heber ◽  
M. Altwein ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Energy Level ◽  
Level Structure ◽  
Optical Spectra ◽  
Transfer Effects ◽  
Energy Level Structure ◽  
Symmetrical Pair

Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes

2021 ◽  
Author(s):  
Alex-Adrian Farcaş ◽  
Attila Bende
Keyword(s):  
Charge Transfer ◽  
Structural Stability ◽  
Spin Transition ◽  
Theoretical Modeling ◽  
Coupled Cluster ◽  
Spin Orbit ◽  
Transfer Effects ◽  
Metal Ligand

The structural stability, charge transfer effects and strength of the spin–orbit couplings in different Ni(ii)–ligand complexes have been studied at the DFT (B3LYP and CAM-B3LYP) and coupled cluster (DLPNO-CCSD(T)) levels of theory.

Mn 2p resonant X-ray emission clarifies the redox reaction and charge-transfer effects in LiMn2O4

2019 ◽  
Vol 21 (33) ◽  
pp. 18363-18369 ◽  
Author(s):  
Daisuke Asakura ◽  
Yusuke Nanba ◽  
Eiji Hosono ◽  
Masashi Okubo ◽  
Hideharu Niwa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Energy Resolution ◽  
Emission Spectroscopy ◽  
High Energy ◽  
High Energy Resolution ◽  
Transfer Effects ◽  
X Ray ◽  
Ion Extraction ◽  
Li Ion

High-energy-resolution soft X-ray emission spectroscopy (XES) was applied to understand the changes in the electronic structure of LiMn2O4 upon Li-ion extraction/insertion.

The suppression of spin–orbit coupling effect by the ZnO layer of La0.7Sr0.3MnO3/ZnO heterostructures grown on (001) oriented Si restores the negative magnetoresistance

Nanoscale ◽  
2021 ◽  
Author(s):  
Bibekananda Das ◽  
Prahallad Padhan
Keyword(s):  
Charge Transfer ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Negative Magnetoresistance ◽  
Magnetic Scattering ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Interfacial Charge Transfer ◽  
Positive Magnetoresistance ◽  
Interfacial Charge

In Si–La0.7Sr0.3MnO3, the interfacial charge transfer driven strong localized antiferromagnetic and spin–orbit couplings favor positive magnetoresistance, which is suppressed by strong magnetic scattering induced by the top ZnO layer results in negative magnetoresistance.

Effect of oxygen vacancy on electronic structure and optical spectra of SrO crystal

2021 ◽  
Vol 133 ◽  
pp. 105940
Author(s):  
Ru-xi Sun ◽  
Ting-yu Liu ◽  
Chun-yu Shi ◽  
Jia-mei Song ◽  
Kai-li Wu
Keyword(s):  
Electronic Structure ◽  
Oxygen Vacancy ◽  
Optical Spectra ◽  
Effect Of Oxygen

scholarly journals Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling

2021 ◽  
Vol 103 (17) ◽  
Author(s):  
Vladislav Borisov ◽  
Yaroslav O. Kvashnin ◽  
Nikolaos Ntallis ◽  
Danny Thonig ◽  
Patrik Thunström ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Magnetic Materials ◽  
Exchange Interactions ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Anisotropic Exchange
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