Zobrazeno 1 - 10
of 78
pro vyhledávání: '"Wysocki, Aleksander L."'
Electronic structure and magnetic interactions of a Tb adatom on graphene are investigated from first principles using combination of density functional theory and multiconfigurational quantum chemistry techniques including spin-orbit coupling. We de
Externí odkaz:
http://arxiv.org/abs/2409.08079
Autor:
Wysocki, Aleksander L., Park, Kyungwha
Relativistic magnetic hyperfine interaction Hamiltonian based on the Douglas-Kroll-Hess (DKH) theory up to the second order is implemented within the ab initio multireference methods including spin-orbit coupling in the Molcas/OpenMolcas package. Thi
Externí odkaz:
http://arxiv.org/abs/2309.09349
The great success of point defects and dopants in semiconductors for quantum information processing has invigorated a search for molecules with analogous properties. Flexibility and tunability of desired properties in a large chemical space have grea
Externí odkaz:
http://arxiv.org/abs/2205.00375
Autor:
Wysocki, Aleksander L., Park, Kyungwha
Publikováno v:
Journal of Chemical Physics; 6/14/2024, Vol. 160 Issue 22, p1-14, 14p
Publikováno v:
Phys. Rev. B 103, 014115 (2021)
Deep defects in wide band gap semiconductors have emerged as leading qubit candidates for realizing quantum sensing and information applications. Due to the spatial localization of the defect states, these deep defects can be considered as artificial
Externí odkaz:
http://arxiv.org/abs/2008.10156
Electrically tuned hyperfine spectrum in neutral Tb(II)(Cp$^{\rm{iPr5}}$)$_2$ single-molecule magnet
Molecular spin qubits with long spin coherence time as well as non-invasive operation methods on such qubits are in high demand. It was shown that both molecular electronic and nuclear spin levels can be used as qubits. In solid state systems with do
Externí odkaz:
http://arxiv.org/abs/2007.15798
Autor:
Wysocki, Aleksander L., Park, Kyungwha
Nuclear spin levels play an important role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for $^{161
Externí odkaz:
http://arxiv.org/abs/2002.05134
Nature of hyperfine interactions in TbPc$_2$ single-molecule magnets: Multireference ab-initio study
Autor:
Wysocki, Aleksander L., Park, Kyungwha
Lanthanide-based single-ion magnetic molecules can have large magnetic hyperfine interactions as well as large magnetic anisotropy. Recent experimental studies reported tunability of these properties by changes of chemical environments or by applicat
Externí odkaz:
http://arxiv.org/abs/1910.11952
Autor:
Wysocki, Aleksander L., Nguyen, Manh Cuong, Wang, Cai-Zhuang, Ho, Kai-Ming, Postnikov, Andrey V., Antropov, Vladimir P.
Publikováno v:
Phys. Rev. B 100, 104429 (2019)
We explore an opportunity to induce and control tetragonal distortion in materials. The idea involves formation of a binary alloy from parent compounds having body-centered and face-centered symmetries. The concept is illustrated in the case of FeNi$
Externí odkaz:
http://arxiv.org/abs/1906.11329
We investigate how different chemical environment influences magnetic properties of terbium(III) (Tb)-based single-molecule magnets (SMMs), using first-principles relativistic multireference methods. Recent experiments showed that Tb-based SMMs can h
Externí odkaz:
http://arxiv.org/abs/1905.10635