Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations

Andrey N Chibisov; Mary A Chibisova; Anastasiia V Prokhorenko; Kirill V Obrazcov; Aleksandr S Fedorov; Yang-Xin Yu

doi:10.3390/nano13233070

Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations

Nanomaterials (Basel). 2023 Dec 3;13(23):3070. doi: 10.3390/nano13233070.

Authors

Andrey N Chibisov¹, Mary A Chibisova¹, Anastasiia V Prokhorenko¹, Kirill V Obrazcov¹, Aleksandr S Fedorov², Yang-Xin Yu³

Affiliations

¹ Computing Center, Far Eastern Branch of the Russian Academy of Sciences, Khabarovsk 680000, Russia.
² Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia.
³ Laboratory of Chemical Engineering Thermodynamics, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.

Abstract

Using density functional theory in the noncollinear approximation, the behavior of quantum states of hole qubits in a Ge/Co:ZnO system was studied in this work. A detailed analysis of the electronic structure and the distribution of total charge density and hole states was carried out. It was shown that in the presence of holes, the energetically more favorable quantum state is the state |0˃, in contrast to the state |1˃ when there is no hole in the system. The favorability of hole states was found to be dependent on the polarity of the applied electric field.

Keywords: density functional theory; electric field; electronic structure; hole qubit; quantum state.

Grants and funding

22-23-01186/Russian Science Foundation