This lecture will introduce a spatial discretization scheme of the Schrödinger equation which represents a 1D heterostructure like a resonant tunneling diode with spatially varying band edges and effective masses. Open boundary conditions are introduces with Quantum Transmitting Boundary Method (QTBM). The QTBM is related to the NEGF-based selfenergy treatment and the complete list of NEGF equations that are typically solved are listed. This lecture is not intended to truly teach the NEGF approach. We refer to Prof. Datta’s exentsive lectures on nanoHUB for the formal introduction of the NEGF approach.
- Effective Mass Tight-Binding Hamiltonian in 1D discretized Schrödinger Eq.
- Quantum Transmitting Boundary Method (QTBM)
Open Boundary Conditions
- Fundamental NEGF Equations
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Università di Pisa, Pisa, Italy