Phonon band structure and interatomic force constants for bismuth: Crucial role of spin-orbit interaction

2007 ◽  
Vol 76 (10) ◽  
Author(s):  
L. E. Díaz-Sánchez ◽  
A. H. Romero ◽  
X. Gonze
Keyword(s):  
Band Structure ◽  
Crucial Role ◽  
Orbit Interaction ◽  
Force Constants ◽  
Spin Orbit ◽  
Spin Orbit Interaction ◽  
Interatomic Force ◽  
Phonon Band

Role of spin–orbit interaction on the nonlinear optical response of CsPbCO3F using DFT

2017 ◽  
Vol 19 (46) ◽  
pp. 31255-31266 ◽  
Author(s):  
E. Narsimha Rao ◽  
G. Vaitheeswaran ◽  
Ali H. Reshak ◽  
S. Auluck
Keyword(s):  
Density Functional ◽  
Orbit Interaction ◽  
Full Potential ◽  
Spin Orbit ◽  
Functional Theory ◽  
Augmented Plane Wave ◽  
Spin Orbit Interaction ◽  
Plane Wave Method ◽  
The Density Functional Theory

We explore the effect of spin–orbit interaction (SOI) on the electronic and optical properties of CsPbCO3F using the full potential linear augmented plane wave method with the density functional theory (DFT) approach.

scholarly journals Flat-band conditions influenced by spin-orbit interaction in the presence of external magnetic field

2021 ◽  
Vol 11 (5) ◽  
pp. 171-179
Author(s):  
Nóra Kucska ◽  
Zsolt Gulácsi
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Orbit Interaction ◽  
Flat Band ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Many Body ◽  
Spin Orbit Interaction ◽  
Coupling Strengths

We deduct conditions for the Hamiltonian coupling strengths necessary to achieve flat bands in polymers (i.e. a pentagon chain) considering many-body spin-orbit coupling and external magnetic field. We consider itinerant electrons on pentagon chains with first neighbour hoppings, on-site electron potentials and spin-flip first neighbour hoppings representing the Rashba type spin-orbit interaction (SOI). The external magnetic field is also present in the system via the Peierls phase factors. The band structure is obtained by solving the secular equation of the diagonalized one particle part of the Hamiltonian in k-space (momentum-space). The flat band conditions make the bands k-independent, providing a highly a degenerate state, which gives broad possibilities for applications. In our work we have shown how the SOI is able to relax the strict, rigid flat band conditions given by the Hamiltonian coupling strengths. The role of the external magnetic field was also investigated.

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