title: Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study.
abstract: The compressive strain effect on the magnetic ground state and electronic structure of strained GdTiO3 has been studied using the first-principles method. Unlike the cases of congeneric YTiO3 and LaTiO3, both of which become the A-type antiferromagnetism on the (0 0 1) LaAlO3 substrate despite their contrastive magnetism, the ground state of strained GdTiO3 on the LaAlO3 substrate changes from the original ferromagnetism to a G-type antiferromagnetim, instead of the A-type one although Gd(3+) is between Y(3+) and La(3+). It is only when the in-plane compressive strain is large enough, e.g. on the (0 0 1) YAlO3 substrate, that the ground state finally becomes the A-type. The band structure calculation shows that the compressive strained GdTiO3 remains insulating, although the band gap changes a little in the strained GdTiO3.
authors.affiliation: Department of Basic Courses, Suqian College, Suqian 223800, People's Republic of China. Department of Physics, Southeast University, Nanjing 211189, People's Republic of China.
authors.forename: Li-Juan
authors.initials: LJ
authors.lastname: Yang
authors.forename: Ya-Kui
authors.initials: YK
authors.lastname: Weng
authors.forename: Hui-Min
authors.initials: HM
authors.lastname: Zhang
authors.forename: Shuai
authors.initials: S
authors.lastname: Dong