A simple model of molecular electronic devices and its analytical solution

Area of Science:

• Condensed Matter Physics
• Quantum Chemistry
• Nanotechnology

Background:

• Molecular electronic devices (MEDs) are crucial for future electronics.
• Understanding electron transport through molecules is complex.
• Existing models often lack analytical tractability.

Purpose of the Study:

• To develop an analytically solvable model for MEDs.
• To provide explicit expressions for reflection and transmission coefficients.
• To offer a transparent interpretation of molecular conductance.

Main Methods:

• An analytically solvable model incorporating contacts, interface, and molecule.
• Derivation of the reflection coefficient r(E) and transmission probability T(E).
• Analysis of r(E) using a complex energy variable and a non-Hermitian Hamiltonian.

Main Results:

• Explicit expressions for r(E) and T(E) were obtained.
• r(E) shows a simple structure in the complex energy plane.
• r(E) is expressible via eigenvalues of a non-Hermitian Hamiltonian.

Conclusions:

• The presented model allows for analytical solutions in MEDs.
• Molecular conductance can be transparently interpreted via discrete eigenstates.
• The non-Hermitian Hamiltonian provides insights into molecular wave functions.