The Impact of Electron-phonon Coupling on the Benzene-like Quantum Dots Molecule Energy Gap

In this study, we developed a theoretical model to study the effect of electron-phonon coupling on the energy gap between the HOMO-LUMO levels in an artificial molecule composed of six quantum dots with a geometric shape similar to the benzene ring, where three different configurations of the benzene ring were studied (para, meta, and ortho) depending on the location of the donor and acceptor atoms, and the effect of different locations of the phonon bath was also taken into consideration. Our model is illustrated, through a comprehensive and compact Hamiltonian approach, that specifies the dynamics of electronic and phonon states within these quantum systems. Our results demonstrated the important role of phonon coefficients in modifying the electronic properties of molecules. Based on these results, we observed that the electron-phonon coupling strength and phonon energy can be manipulated to modulate the energy gap, providing promising ways to develop advanced nanoelectronics applications.