Large spin-orbit splitting in the conduction band of halogen (F, Cl, Br, and I) doped monolayer WS2 with spin-orbit coupling

2017 ◽  
Vol 96 (24) ◽  
Author(s):  
Shaoqiang Guo ◽  
Yuyan Wang ◽  
Cong Wang ◽  
Zilong Tang ◽  
Junying Zhang
2018 ◽  
Vol 32 (05) ◽  
pp. 1850055 ◽  
Author(s):  
Ranber Singh

The spin–orbit splitting (E[Formula: see text]) of valence band maximum at the [Formula: see text] point is significantly smaller in 2D planner honeycomb structures of graphene, silicene, germanene and BN than that in the corresponding 3D bulk counterparts. For 2D planner honeycomb structure of SiC, it is almost same as that for 3D bulk cubic SiC. The bandgap which opens at the K and K[Formula: see text] points due to spin–orbit coupling (SOC) is very small in flat honeycomb structures of graphene and silicene, while in germanene it is about 2 meV. The buckling in these structures of graphene, silicene and germanene increases the bandgap opened at the K and K[Formula: see text] points due to SOC quadratically, while the E[Formula: see text] of valence band maximum at the [Formula: see text] point decreases quadratically with an increase in the magnitude of buckling.


1969 ◽  
Vol 47 (23) ◽  
pp. 2727-2730 ◽  
Author(s):  
H. Lefebvre-Brion ◽  
N. Bessis

The origin of the splitting of the 2Δ states arising from the σπ2 configuration is studied. For light diatomic molecules, the splitting is shown to arise from the spin–other–orbit interaction which gives a small negative value for the spin–orbit coupling constant A. Non-empirical calculations of A for the 2Δ states of the CH, NH+, and NO molecules are in good agreement with experiment. In heavier molecules, the spin–other–orbit interaction becomes negligible and the second-order spin–orbit effect is dominant.


The spin-orbit splitting in orbitally degenerate systems with one open shell usually conforms to Hund’s third rule: that is, the splitting is regular for a less than half-filled shell, and inverted for a more than half-filled shell. The C 2 T 2 states of CF+4 and SiF+4 reported by Mason & Tuckett violate this expectation. We show below how this may occur in AX+4 ions where the dominant atomic spin-orbit coupling arises from motion around the X atoms.


2018 ◽  
Vol 2 (11) ◽  
pp. 115016 ◽  
Author(s):  
Avinash Singh ◽  
Shubhajyoti Mohapatra ◽  
Churna Bhandari ◽  
Sashi Satpathy

ChemInform ◽  
2016 ◽  
Vol 47 (21) ◽  
Author(s):  
Joshua Flynn ◽  
Jun Li ◽  
Arthur W. Sleight ◽  
Arthur P. Ramirez ◽  
M. A. Subramanian

AIP Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 075304 ◽  
Author(s):  
Shaoqiang Guo ◽  
Huibin Zheng ◽  
Yuyan Wang ◽  
Junying Zhang

2019 ◽  
Vol 110 ◽  
pp. 95-99 ◽  
Author(s):  
G.M. Minkov ◽  
V. Ya. Aleshkin ◽  
O.E. Rut ◽  
A.A. Sherstobitov ◽  
A.V. Germanenko ◽  
...  

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