Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model

• Main Authors: Rahman, Md Mahmudur, Muhida, Rifki, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2005
• Subjects: Organometallic compounds—Magnetic properties; Organometallic compounds—Electric properties; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/4554
• Institution: De La Salle University

We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system...