Controlling Electronic Properties of FeCl2 Monolayer under LDA+U Approach

Autor:	T B Prayitno, B Nuryasin, E Budi, R Fahdiran
Rok vydání:	2022
Předmět:	History Computer Science Applications Education
Zdroj:	Journal of Physics: Conference Series. 2392:012021
ISSN:	1742-6596 1742-6588
DOI:	10.1088/1742-6596/2392/1/012021
Popis:	The electronic properties of FeCl2 monolayer were inspected by using the LDA+U approach and including the spin-orbit interaction. By observing the band dispersion, it was shown that the metallic state changes to the insulating state by increasing the Coulomb repulsion. Moreover, the band gap and magnetic moment of Fe atom also increase as the Coulomb repulsion increases. For the magnetic state, it was also found that the ferromagnetic ground state was shifted to the antiferromagnetic ground state as tuning the Coulomb repulsion. It can be deduced that combining the spin-orbit interaction and Coulomb repulsion controls the electronic properties of FeCl2 monolayer.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::82d9a72bde1aa5dee2f539ed098941a0 https://doi.org/10.1088/1742-6596/2392/1/012021 Zobrazit plný text záznamu