Ab initio study of fundamental properties of XAlO3 (X = Cs, Rb and K) compounds

• Main Author: Berri, Saadi
• Format: Article
• Language: English
• Published: H. : ĐHQGHN 2018
• Subjects: Half-metallic; Optical properties; Electronic properties; Magnetic properties; Ferromagnetic materials
• Online Access: http://repository.vnu.edu.vn/handle/VNU_123/62875; https://doi.org/10.1016/j.jsamd.2018.03.001
• Institution: Vietnam National University, Hanoi

The structural, electronic, magnetic and optical properties of suggestedXAlO3(X¼Cs, Rb and K) pe-rovskites under pressure effects are investigated by means of thefirst-principles calculations with the technique of the Full Potential Linearly Augmented Plane Wave (FP-LAPW) implemented within Wien2k c...