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arXiv · 1410.1229

Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study

Li-Juan Yang·Ya-Kui Weng·Hui-Min Zhang·Shuai Dong
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Abstract

The compressive strain effects on the magnetic ground state and electronic structure of strained GdTiO 3 have been studied by the first-principles method. Different from the congeneric YTiO3 and LaTiO3 cases both of which becomes the A-type antiferromagnetism on the (001) LaAlO3 substrate despite their contrastive magnetism, the ground state of strained GdTiO3 on the LaAlO3 substrate changes from the original ferromagnetism to G-type antiferromagnetim, instead of the A-type one although Gd 3+ is between Y3+ and La3+. Only when the in-plane compressive strain is large enough, e.g. on the (001) YAlO3 substrate, the ground state finally becomes the A-type one. The band structure calculation shows that these compressive strained GdTiO3 remain insulating, although the band gap changes a little in these strained GdTiO3.

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Li-Juan Yang, Ya-Kui Weng, Hui-Min Zhang, Shuai Dong. 2014-10-06. Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study. https://doi.org/10.1088/0953-8984%2F26%2F47%2F476001

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