Theoretical Design of Silicon-Based Nanostructures for Spin Qubits

Silicon spin quantum bits (qubits) are promising for large-scale integration in fault-tolerant quantum computers. However, key spin qubit properties are closely linked to the atom-level characteristics of Si-based nanostructures. This paper discusses our progress in using the atomistic empirical pseudopotential method (EPM) to study and tailor Si-based nanostructures with excellent properties suitable for spin qubits, particularly involving valleys of electron qubits and spin-orbit coupling (SOC) of hole qubits.