Non-collinear magnetization textures provide a route to novel device concepts in spintronics. These applications require laterally confined non-collinear magnets (NCM). A crucial aspect for potential applications is how the spatial proximity between the NCM and vacuum or another material impacts the magnetization texture on the nanoscale. We focus on a prototypical exchange-driven NCM given by the helical spin order of bilayer Fe on Cu(111). Spin-polarized scanning tunnelling spectroscopy and density functional theory reveal a nanosize- and proximity-driven modification of the electronic and magnetic structure of the NCM in interfacial contact with a ferromagnet or with vacuum. An intriguing non-collinearity between the local magnetization in the sample and the electronic magnetization probed above its surface results. It is a direct consequence of the spinor nature of electronic states in NCM. Our findings provide a possible route for advanced control of nanoscale spin textures by confinement.
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http://dx.doi.org/10.1038/ncomms13000 | DOI Listing |
Molecules
November 2024
School of Molecular Sciences, Arizona State University, Tempe, AZ 85287-1604, USA.
There have been increasing efforts to compute magnetic exchange coupling constants for transition metal complexes and magnetic insulators using the magnetic force theorem and Green's function-based linear response methods. These were originally conceived for magnetic metals, yet it has not been clear how these methods fare conceptually with the conventional models based on electron-correlation interactions among so-called magnetic orbitals. We present a spinor-based theoretical analysis pertinent to the magnetic force theorem and linear response theory using Brillouin-Wigner perturbation method and Green's function perturbation method, and we shed light on the conceptual nature of the Lichtenstein formula in its applications for calculations of the total energy and magnetic exchange coupling constants for both molecules and solids.
View Article and Find Full Text PDFJ Chem Phys
July 2024
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
We present a four-component relativistic unitary coupled cluster method for atoms and molecules. We have used commutator-based non-perturbative approximation using the "Bernoulli expansion" to derive an approximation to the relativistic unitary coupled cluster method. The performance of the full quadratic unitary coupled-cluster singles and doubles method (qUCCSD), as well as a perturbative approximation variant (UCC3), has been reported for both energies and properties.
View Article and Find Full Text PDFSci Rep
March 2024
Faculty of Physics, Sofia University, 5 James Bourchier Blvd., 1164, Sofia, Bulgaria.
In this paper, we present a stochastic approach to relativistic quantum mechanics. We formulate the three fundamental principles of this theory and derive the Dirac equations based on them. This approach enables us to bring more insight into the nature of Dirac's spinors.
View Article and Find Full Text PDFJ Chem Phys
February 2024
Qingdao Institute for Theoretical and Computational Sciences, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, Shandong 266237, People's Republic of China.
It is shown that the four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock equations can be implemented in a unified manner by making use of the atomic nature of the small components of molecular 4-spinors. A model density matrix approximation can first be invoked for the small-component charge/current density functions, which gives rise to a static, pre-molecular mean field to be combined with the one-electron term. As a result, only the nonrelativistic-like two-electron term of the 4C/Q4C/X2C Fock matrix needs to be updated during the iterations.
View Article and Find Full Text PDFAdv Mater
April 2024
Center for Integrated Quantum Information Technologies (IQIT), School of Physics and Astronomy and State Key Laboratory of Advanced Optical Communication Systems and Networks, Shanghai Jiao Tong University, Shanghai, 200240, China.
Gauge field is widely studied in natural and artificial materials. With an effective magnetic field for uncharged particles, many intriguing phenomena are observed in several systems like photonic Floquet topological insulator. However, previous researches about the gauge field mostly focus on limited dimensions such as the Dirac spinor in graphene materials.
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