Origin of the Magnetic Exciton in the van der Waals Antiferromagnet NiPS_{3}.
Phys Rev Lett
; 131(25): 256504, 2023 Dec 22.
Article
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| MEDLINE
| ID: mdl-38181357
ABSTRACT
An ultrasharp photoluminescence line intimately related to antiferromagnetic order has been found in NiPS_{3}, a correlated van der Waals material, opening prospects for magneto-optical coupling schemes and spintronic applications. Here we unambiguously clarify the singlet origin of this excitation, confirming its roots in the spin structure. Based on a comprehensive investigation of the electronic structure using angle-resolved photoemission and q-dependent electron energy loss spectroscopy as experimental tools we develop, in a first step, an adequate theoretical understanding using density functional theory (DFT). In a second step the DFT is used as input for a dedicated multiplet theory by which we achieve excellent agreement with available multiplet spectroscopy. Our Letter connects the understanding of the electronic structure and of optical processes in NiPS_{3} and related materials as a prerequisite for further progress of the field.
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2023
Tipo del documento:
Article
País de afiliación:
Alemania
Pais de publicación:
Estados Unidos