ELFT HÍRADÓ

[Szeminárium koordinátor <sem-admin AT szfki.hu>]

SZFI SeminarKyungwha ParkVirginia Tech (host: Újfalussy 
Balázs)Lanthanide-based magnetic molecules for quantum information science 
applicationsTuesday, 7 December 2021, 10:00, Bldg. 1, auditorium,  
https://wigner-hu.zoom.us/j/96938744606?pwd=emtNUkpQRUYzNTBEQkJRcnpwczZsUT09  
 Meeting ID: 969 3874 4606  Passcode: 476599Recently, quantum logic gates and 
quantum algorithms have been experimentally realized within some magnetic 
molecules including single-molecule magnets. For such applications, either 
molecular electronic levels or nuclear levels can be used for quantum bits 
and they can be read, operated, or written using magnetic or electric fields. 
In particular, lanthanide-based single-molecule magnets are promising for 
such applications due to strong spin-orbit coupling, molecular geometry 
compatible to devices, and tunability of coupling between electron and 
nuclear spins via external means. Motivated by the recent experimental work, 
we investigate the interaction between the electronic magnetic moment and the 
lanthanide-element nuclear spin in trivalent and divalent terbium-based 
single-molecule magnets with and without an electric field, using 
multiconfigurational ab-initio methods (quantum chemistry methods) including 
spin-orbit coupling. We show that trivalent and divalent terbium-based 
molecules have different types of dominant contributions to the magnetic 
hyperfine interaction, and that the principal axes of the nuclear quadrupole 
interaction are not necessarily parallel to those of the magnetic axes. We 
further examine how the magnetic hyperfine and nuclear quadrupole 
interactions are influenced by the electric field in the terbium-based 
single-molecule magnets, as a function of the magnitude and direction of the 
electric field. Minden érdeklődőt szívesen látunk! - Everyone is welcome 
to attend.Róbert Juhászsem-admin AT szfki.hu