Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Rare-earth adatoms on surfaces have been studied for potential atomic-scale magnetic storage, quantum sensing, and quantum computing applications. Despite accumulating experimental efforts, a comprehensive description of the electronic configurations of the adatoms remains elusive. Here, we investigate two charge states and several electronic configurations, including 5d and 6s valence shells, for a Sm adatom on a MgO substrate using multiconfigurational ab initio methods, for the possibility of using the Sm nuclear spin levels as qubits. For the configurations in a neutral charge state, we find that the electronic ground state is a singlet, and thus the hyperfine interaction associated with the 147 Sm nucleus is absent, which may greatly enhance nuclear spin coherence time. The degeneracy of the nuclear levels is lifted by the nuclear quadrupole interaction. We show that the splitting of the nuclear levels can be controlled by a static electric field, and that Rabi oscillations between the nuclear levels can be induced by a time-dependent electric field. For the configurations in a singly charged state, electronic Kramers doublets are formed. The electronic configurations including an unpaired 6s orbital exhibit a strong hyperfine Stark effect due to a large Fermi contact contribution to the hyperfine interaction. In these configurations, electric-field-induced Rabi oscillations between the electronic-nuclear levels can occur at frequencies up to 3 orders of magnitude higher than those for the neutral charge state. The proposed system may be experimentally observed within scanning tunneling microscopy.
Source: ACS Nano
Institutions: Virginia Tech, University of Nebraska at Kearney
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: G1173168512, G1263877917, G1453181110, Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services, G2011318139, G3265821332, G3562386289, G3898241218, G3927959030, G3993056153, Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS), G4010157413, G4478963120, G4670706591, ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI), G4793193615, Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT), G5098925467, G5367127336, G5464919783, G6025207788, G6247045938, G6473820372, RII Track-1: Emergent Quantum Materials and Technologies (EQUATE), G7355144479, G754761654, AB INITIO DESIGN OF QUANTUM MOLECULAR MAGNETS FOR INFORMATION APPLICATIONS, Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI
OpenAlex ID: W4409642968