Magnetic nature and hyperfine interactions of transition metal atoms adsorbed on ultrathin insulating films: a challenge for DFT-Reference-Cited by-同舟云学术

Magnetic nature and hyperfine interactions of transition metal atoms adsorbed on ultrathin insulating films: a challenge for DFT

Published:2022 Issue:26 Volume:24 Page:15891-15903
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tosoni Sergio¹^ORCID,Pacchioni Gianfranco¹^ORCID

Affiliation:

1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via Roberto Cozzi 55, 20125 Milan, Italy

Abstract

The magnetic ground state and hyperfine coupling parameters of first-row transition metal atoms adsorbed on metal-supported MgO ultrathin films are calculated using DFT. The methodological challenges and the role of the support are highlighted.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01224C

Reference65 articles.

1. Reaching the magnetic anisotropy limit of a 3 d metal atom

2. Magnetic remanence in single atoms

3. Single-atom catalysis of CO oxidation using Pt1/FeOx

4. Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

5. Confining isolated atoms and clusters in crystalline porous materials for catalysis

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Hamiltonian Inference from Dynamical Excitations in Confined Quantum Magnets;Physical Review Applied;2023-08-22

2. Effects of strong spin-orbit coupling on Shiba states from magnetic adatoms using first-principles theory;New Journal of Physics;2023-03-01

3. The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100);Advanced Functional Materials;2023-02-23

4. Single Metal Atoms on Oxide Surfaces: Assessing the Chemical Bond through ¹⁷O Electron Paramagnetic Resonance;Accounts of Chemical Research;2022-11-28

5. Anisotropic Hyperfine Interaction of Surface-Adsorbed Single Atoms;Nano Letters;2022-11-01