Speaker: Dr. Bo Gu

                 Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Japan

Abstract

We have developed a numerical method by combining density functional theory (DFT) and quantum Monte Carlo (QMC) method to study spintronic materials. In the DFT+QMC method, the band structure of conduction electrons in materials is obtained by the DFT calculation, and electron correlations are treated by the QMC simulation. I will demonstrate this method by applying it to a number of realistic systems to study spin Hall effect and the diluted magnetic semiconductor.  [Slides]

Time:     10am, May 31, 2017

Venue:   Room S104, KITS, UCAS Teaching Building, No. 3, ZhongGuanCun Nan 1 Tiao