Spin orbit splitting in the valence bands of ZrSxSe2−x: Angle resolved photoemission and density functional theory

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/j.elspec.2012.12.010 ◽

2013 ◽

Vol 189 ◽

pp. 35-39 ◽

Cited By ~ 11

Author(s):

Mohamed Moustafa ◽

Aliakbar Ghafari ◽

Alexander Paulheim ◽

Christoph Janowitz ◽

Recardo Manzke

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spin Orbit ◽

Orbit Splitting ◽

Functional Theory ◽

Spin Orbit Splitting ◽

Valence Bands

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Spin-orbit correction to NMR shielding constants from density functional theory

Chemical Physics Letters ◽

10.1016/0009-2614(96)00988-8 ◽

1996 ◽

Vol 261 (3) ◽

pp. 335-345 ◽

Cited By ~ 105

Author(s):

Vladimir G. Malkin ◽

Olga L. Malkina ◽

Dennis R. Salahub

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spin Orbit ◽

Functional Theory ◽

Orbit Correction ◽

Shielding Constants

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Spin–orbit coupling effect on Au–C60 interaction: A density functional theory study

Chemical Physics ◽

10.1016/j.chemphys.2011.06.013 ◽

2012 ◽

Vol 395 ◽

pp. 82-86 ◽

Cited By ~ 7

Author(s):

Qun Zeng ◽

Xiang Chu ◽

Mingli Yang ◽

De-Yin Wu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Coupling Effect ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Density Functional Theory Study ◽

Functional Theory

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Spin-current density-functional theory for a correct treatment of spin-orbit interactions and its application to topological phase transitions

Physical Review B ◽

10.1103/physrevb.98.205137 ◽

2018 ◽

Vol 98 (20) ◽

Cited By ~ 7

Author(s):

Egor Trushin ◽

Andreas Görling

Keyword(s):

Density Functional Theory ◽

Phase Transitions ◽

Density Functional ◽

Spin Current ◽

Topological Phase ◽

Spin Orbit ◽

Correct Treatment ◽

Functional Theory ◽

Spin Orbit Interactions ◽

Topological Phase Transitions

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Density Functional Theory Study of the Jahn−Teller Effect and Spin−Orbit Coupling for Copper and Gold Trimers

The Journal of Physical Chemistry A ◽

10.1021/jp040502p ◽

2005 ◽

Vol 109 (3) ◽

pp. 512-519 ◽

Cited By ~ 21

Author(s):

Yinghua Shen ◽

Joseph J. BelBruno

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Orbit Coupling ◽

Teller Effect ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Density Functional Theory Study ◽

Functional Theory ◽

Jahn Teller ◽

Jahn Teller Effect

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Spin–orbit interaction in the Douglas–Kroll approach to relativistic density functional theory: the screened nuclear potential approximation for molecules

Chemical Physics Letters ◽

10.1016/j.cplett.2003.10.072 ◽

2003 ◽

Vol 382 (1-2) ◽

pp. 186-193 ◽

Cited By ~ 21

Author(s):

Sonjoy Majumder ◽

Alexei V Matveev ◽

Notker Rösch

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Orbit Interaction ◽

Nuclear Potential ◽

Spin Orbit ◽

Potential Approximation ◽

Functional Theory ◽

Spin Orbit Interaction

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Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe

RSC Advances ◽

10.1039/d0ra08279a ◽

2020 ◽

Vol 10 (73) ◽

pp. 44785-44792

Author(s):

Hong T. T. Nguyen ◽

Vo T. T. Vi ◽

Tuan V. Vu ◽

Nguyen V. Hieu ◽

Dung V. Lu ◽

...

Keyword(s):

Density Functional Theory ◽

Thermoelectric Properties ◽

Density Functional ◽

Coupling Effect ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Functional Theory

In this paper, we investigate the electronic, optical, and thermoelectric properties of Ga2SSe monolayer by using density functional theory.

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Influence of doping of mercury atom(s) on optoelectronic properties of binary cadmium chalcogenides - A density functional theory based investigation with different exchange-correlation functionals and including spin-orbit coupling

Current Applied Physics ◽

10.1016/j.cap.2018.03.010 ◽

2018 ◽

Vol 18 (6) ◽

pp. 698-716 ◽

Cited By ~ 2

Author(s):

Manish Debbarma ◽

Utpal Sarkar ◽

Bimal Debnath ◽

Sayantika Chanda ◽

Debankita Ghosh ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Mercury Atom ◽

Optoelectronic Properties ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Functional Theory ◽

Exchange Correlation ◽

Cadmium Chalcogenides

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Magnetic phenomena, spin-orbit effects, and Landauer conductance in Pt nanowire contacts: Density-functional theory calculations

Physical Review B ◽

10.1103/physrevb.78.014423 ◽

2008 ◽

Vol 78 (1) ◽

Cited By ~ 37

Author(s):

Alexander Smogunov ◽

Andrea Dal Corso ◽

Erio Tosatti

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spin Orbit ◽

Functional Theory ◽

Magnetic Phenomena

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ChemInform Abstract: Density Functional Theory Analysis of the Interplay Between Jahn-Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal-Metal Interaction, and Spin-Orbit Coupling in Ca3CoMO6 (M: Co, Rh, Ir).

ChemInform ◽

10.1002/chin.201116001 ◽

2011 ◽

Vol 42 (16) ◽

pp. no-no

Author(s):

Yuemei Zhang ◽

Erjun Kan ◽

Hongjun Xiang ◽

Antoine Villesuzanne ◽

Myung-Hwan Whangbo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Theory Analysis ◽

Functional Theory ◽

Metal Metal ◽

Jahn Teller ◽

Spin Arrangement

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Electronic structure and molecular properties of [Re6−x Os x Se8Cl6](4−x)− (x = 0–3) clusters: A study based on time-dependent density functional theory including spin-orbit and solvent effects

Journal of Structural Chemistry ◽

10.1134/s0022476614020267 ◽

2014 ◽

Vol 55 (2) ◽

pp. 363-367 ◽

Cited By ~ 1

Author(s):

L. Alvarado-Soto ◽

Ramirez-Tagle

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Solvent Effects ◽

Density Functional ◽

Molecular Properties ◽

Time Dependent ◽

Spin Orbit ◽

Functional Theory ◽

Dependent Density

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