Defects That Magnetize Beyond Monolayer PtSe2

Publikation: Beitrag in Fachzeitschrift › Forschungsartikel › Beigetragen › Begutachtung

Beitragende

Abstract

Defect-induced magnetism in two-dimensional (2D) materials holds enormous potential for next-generation spintronic and quantum devices, yet its realization beyond monolayer remains elusive. In this work, we investigate the emergence and modulation of magnetism in multilayer PtSe2 via a combined theoretical–experimental approach, integrating hybrid density functional theory (DFT) calculations with aberration-corrected scanning transmission electron microscopy (AC-STEM). In multilayer PtSe2 with the presence of Pt vacancies, magnetism is typically quenched due to interlayer interactions, but it can be restored by complex defect structures comprising, in addition to a Pt vacancy, a PtSe antisite. These configurations induce magnetic moments of up to 3.16 µB and give rise to a two-dimensional half-metallic state in bilayer PtSe2, which is highly desirable for spin-polarized transport. Furthermore, the electronic and magnetic properties can be tuned by nearby Se vacancies, which drive transitions between different types of magnetic states. When embedded in the middle layer of trilayer PtSe2, this combination of defects extends the magnetic moments beyond the defect-carrying layer. Overall, these findings demonstrate that defect engineering enables robust magnetic phase control and spin-filtering behavior without external doping or strain, establishing PtSe2 as a tunable 2D magnetic material platform for scalable, room-temperature spintronic and valleytronic applications.

Details

OriginalspracheEnglisch
Aufsatznummere73946
FachzeitschriftSmall
Jahrgang22
Ausgabenummer40
PublikationsstatusVeröffentlicht - 17 Juli 2026
Peer-Review-StatusJa

Externe IDs

PubMed 42178774

Schlagworte

ASJC Scopus Sachgebiete

  • Biotechnologie - aberration-corrected STEM, defects, density functional theory, magnetism, multilayer, PtSe, two-dimensional
  • Allgemeine Chemie - aberration-corrected STEM, defects, density functional theory, magnetism, multilayer, PtSe, two-dimensional
  • Biomaterialien - aberration-corrected STEM, defects, density functional theory, magnetism, multilayer, PtSe, two-dimensional
  • Allgemeine Materialwissenschaften - aberration-corrected STEM, defects, density functional theory, magnetism, multilayer, PtSe, two-dimensional

Schlagwörter

  • aberration-corrected STEM, defects, density functional theory, magnetism, multilayer, PtSe, two-dimensional