Ab-initio study of the electronic structure of LuO including spin-orbit coupling effects

2020 ◽  
Vol 1187 ◽  
pp. 112941
Author(s):  
Joumana Assaf ◽  
Rouba Reaidi ◽  
Rima Assaf
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Ab Initio Study ◽  
Coupling Effects

Electronic structure and spin-orbit coupling in ternary transition metal chalcogenides Cu2TlX 2 (X=Se, Te)

2021 ◽  
Author(s):  
Na Qin ◽  
Xian Du ◽  
Yangyang Lv ◽  
Lu Kang ◽  
Zhongxu Yin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Ab Initio ◽  
Band Gap ◽  
Electronic Properties ◽  
Orbit Coupling ◽  
Metal Chalcogenides ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Transition Metal Chalcogenides

Abstract Ternary transition metal chalcogenides provide a rich platform to search and study intriguing electronic properties. Using Angle-Resolved Photoemission Spectroscopy and ab initio calculation, we investigate the electronic structure of Cu2TlX 2 (X = Se, Te), ternary transition metal chalcogenides with quasi-two-dimensional crystal structure. The band dispersions near the Fermi level are mainly contributed by the Te/Se p orbitals. According to our ab-initio calculation, the electronic structure changes from a semiconductor with indirect band gap in Cu2TlSe2 to a semimetal in Cu2TlTe2, suggesting a band-gap tunability with the composition of Se and Te. By comparing ARPES experimental data with the calculated results, we identify strong modulation of the band structure by spin-orbit coupling in the compounds. Our results provide a ternary platform to study and engineer the electronic properties of transition metal chalcogenides related to large spin-orbit coupling.

Spin–orbit coupling effects on the electronic structure of two-dimensional silicon carbide

2019 ◽  
Vol 18 (2) ◽  
pp. 407-414 ◽  
Author(s):  
Md. Rasidul Islam ◽  
Md. Sherajul Islam ◽  
Naim Ferdous ◽  
Khalid N. Anindya ◽  
Akihiro Hashimoto
Keyword(s):  
Silicon Carbide ◽  
Electronic Structure ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Two Dimensional ◽  
Coupling Effects

An ab initio study of the electronic spectrum of Zn2 including spin–orbit coupling

2005 ◽  
Vol 311 (1-2) ◽  
pp. 35-44 ◽  
Author(s):  
K. Ellingsen ◽  
T. Saue ◽  
C. Pouchan ◽  
O. Gropen
Keyword(s):  
Ab Initio ◽  
Electronic Spectrum ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Ab Initio Study
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