Effects of 3d transition metal impurities and vacancy defects on electronic and magnetic properties of pentagonal Pd₂S₄: competition between exchange splitting and crystal fields.

ABSTRACT: In this paper, we first investigate the electronic properties of the two-dimensional structure of dichalcogenide Pd₂S₄. These properties strongly depend on the crystal field splitting which can change by atomic vacancies (S and Pd vacancies). The main purpose of the present paper is to create remarkable magnetic properties in the system by adding 3d transition metal atoms where the presence of Mn, Cr, and Fe creates the exchange interaction in the system as well as change in the crystal field. The created magnetic properties strongly depend on the competition between exchange interaction and crystal field to separate the levels of d orbitals. In addition, the presence of the transition metals in the structures with S and Pd vacancy has been investigated carefully. The

SUBMITTER: Gholami M 

PROVIDER: S-EPMC9237093 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature