First-principles investigation of A-B intersite charge transfer and correlated electrical and magnetic properties in BiCu3Fe4O12. - Hongping Li; Shuhui Lv; Xiaojuan Liu; Jian Meng (J. Comput. Chem., 2011)

First-principle investigation of magnetic coupling mechanism in hypothesized A-site-ordered perovskite YMn3Sc4O12. - Hongping Li; Shuhui Lv; Yijia Bai; Yanjie Xia; Xiaojuan Liu; Jian Meng (J. Comput. Chem., 2012)

Insulator-metal transition driven by pressure and B-site disorder in double perovskite La2CoMnO6. - Shuhui Lv; Xiaojuan Liu; Hongping Li; Lin Han; Zhongchang Wang; Jian Meng (J. Comput. Chem., 2012)