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Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems
Xiangang Wan, Quan Yin, Sergej Y. Savrasov
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear resp…
Electronic Structure and Linear Optical Properties of SrCuOCl Studied from the First Principles Calculation
Hongming Weng, Xiangang Wan, Jian Zhou +1
First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical pro…
Magnetic and Electronic Properties of the New Ferrimagnet Sr8CaRe3Cu4O24
Masanori Kohno, Xiangang Wan, Xiao Hu
Magnetic and electronic properties of the recently-discovered material Sr8CaRe3Cu4O24 were investigated by means of a quantum Monte Carlo simulation, the Green function method and…