First principles study of electric and magnetic properties of benzene-iron multiple-decked sandwich chain

• Main Authors: Rahman, Md Mahmudur, Muhida, Rifki, Dy, Eben Sy, Mozo, Romel, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2006
• Subjects: Antiferromagnetism; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3968
• Institution: De La Salle University

We investigate electric and magnetic properties of a benzene-iron multiple-decked sandwich chain [Fe(C6H6)] ∞. By performing first principles calculation based on the density functional theory, we find that the system [Fe(C6H 6)]∞ is stable and has no magnetic moment for which the two succeeding iro...