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Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model
Hsiu-Fen Kao1, Ikai Lo, Jih-Chen Chiang
1Institute of Photonics and Communications, National Kaohsiung University of Applied Sciences, Kaohsiung 80778, Taiwan. fenny@cc.kuas.edu.tw
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|September 28, 2012
Summary
We introduce a 16-band atomic bond-orbital model (16ABOM) to calculate spin splitting in zincblende materials. This method reveals that spin-orbit coupling in p-like states significantly influences the lowest conduction bands.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Mechanics
Background:
- Bulk inversion asymmetry in zincblende materials induces spin splitting.
- Accurate modeling of spin splitting is crucial for understanding semiconductor properties.
Purpose of the Study:
- To develop a 16-band atomic bond-orbital model (16ABOM) for calculating spin splitting.
- To investigate the role of spin-orbit coupling in zincblende semiconductors.
Main Methods:
- The 16ABOM is derived from the linear combination of atomic-orbital (LCAO) scheme.
- A similarity transformation on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion at the Γ point is employed.
- Spin-splitting energies are calculated for GaAs and InSb.
Main Results:
- The 16ABOM accurately reproduces spin-splitting energies compared to LCAO and first-principles calculations.
- Spin-orbit coupling between bonding and antibonding p-like states is identified as the dominant factor.
- This coupling significantly affects the spin splitting of the lowest conduction bands.
Conclusions:
- The 16ABOM provides a robust framework for studying spin splitting in zincblende materials.
- Spin-orbit coupling in p-like states is a key mechanism for spin splitting in these materials.
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