Spin caloritronic transport properties and thermal spin logic gates in Mn-porphyrin trimer-based molecular junction

摘要

Based on the first-principles density functional theory and non-equilibrium Green's function technique, we investigate the spin caloritronic transport properties of Mn-porphyrin trimer with carbon nanotube electrodes. The system exhibits distinct spin caloritronic transport properties under different magnetic configurations. The underlying mechanism is analyzed by spin-resolved transmission spectra, current spectra, spatial distributions of corresponding molecular projected self-consistent Hamiltonian orbitals. Based on these intriguing spin caloritronic transport characteristics, the thermal spin logic gates, such as NOT, AND and OR are designed.