Theory and Modeling of Electrical Control of Chiral Qubit in Spin-Frustrated Molecular Triangle

Abstract: Spin-frustrated molecular triangles have four low-lying energy states, so called chiral states, which can be employed as the unit of information, qubit, in a quantum computer. The fact that the chiral states are characterized by two quantum numbers chirality and spin allows the control of the magnetization of the molecule by an electric field due to the spin-electric interaction. Unlike a magnetic field, electric fields can be applied spatially and temporally on the scale of single molecules, as an electric impulse by using a scanning tunneling microscope (STM) tip. In this thesis, I report on, i. Theoretical description of spin-frustrated molecular triangles based on sym-metry group theory, ii. Modeling of the system by using an extended Hubbard Hamiltonian includ-ing spin-orbit coupling and an external magnetic field. iii. Modeling of the spin-electric interaction for a spin-frustrated molecular tri-angle. iv. Studying the chiral states by performing numerical calculations based on exact diagonalization of the Hubbard Hamiltonian. v. Investigating the electrical control of the chiral qubits through numerical calculation.