TY  - JOUR
TI  - A Theoretical Study on Electronic Behavior and Mechanical Properties of Ferromagnetic Manganese Selenide: AgMn2Se4
AB  - In this study, the electronic behavior and mechanical properties of the ferromagnetic chalcospinel manganese-based selenide (AgMn2Se4) which crystallized in face centered cubic structure with space group Fd3 ̅m and space number 227, were investigated. All ab initio calculations were carried out by Generalized Gradient Approximation (GGA) under spin polarization. For this composition, three different type magnetic orders were considered to detect the most stable magnetic character. For the given composition, the results of the computations indicate its ferromagnetic nature since this compound has a lower ground state energy in this magnetic order than in other magnetic phases. After determining the most energetically stable magnetic phase, the electronic behavior in this magnetic arrangement was examined. The observed electronic band structure under spin polarization of this compound shows that this selenide system is almost half-metallic material due to having small band gap (Eg = 0.09 eV) in the minority spin state. In addition, the mechanical stability was determined with the help of elastic constants which were also employed to determine the mechanical characteristics of this compound.
AU  - SÜRÜCÜ, Gökhan
AU  - Erkişi, Aytaç
DO  - 10.29233/sdufeffd.944116
PY  - 2021
JO  - Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi
VL  - 16
IS  - 2
SN  - 1306-7575
SP  - 339
EP  - 348
DB  - TRDizin
UR  - http://search/yayin/detay/464953
ER  -