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Required Modules

Victory Atomistic

How to compute the transfer characteristic I(V) of a 1ML-MoS2 double-gate TFET, using a Wannier Hamiltonian with the QTBM ballistic solver.

A device template is used to build a TFET structure with one monolayer (1ML) of hexagonal h-MoS2 oriented in the armchair direction.

The MoS2 layer is repeated periodically in the direction perpendicular to the transport direction.

The TFET is essentially a P-I-N structure with a P++ source, an intrinsic channel, and a N++ drain.
The top and bottom oxides are made with a fake MoS2 with an equivalent oxide thickness of 1 nm.

A Wannier90 matrix describes the band structure of 1ML MoS2 thanks to a previous calculation done ab initio in DFT with a HSE functional including the spin-orbit coupling (SOC) term. This way the band structure of MoS2 is described accurately.

The transport solver is a metasolver using the Quantum Transport Boundary Method (QTBM) coupled with the Poisson equation.

This method is equivalent to the Non-Equilibrium Green’s Function (NEGF) with no scattering.

The ballistic transfer characteristic is obtained thanks to a voltage ramp applied to the gate.

The device structure, the 1D band profile, and the I(V) curve are visualized with Victory Visual.

Note: To visualize 1D band profile at Vg = 0.7 V, the file has to be opened in victory visual, then select “Reinterpret as a plot ” from top bar. Tick both “Ec_confined_no_strain ” and “Ev_confined_no_strained ” and untick the rest.

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