Strain-engineered A-type antiferromagnetic order in YTiO$_3$: a first-principles calculation

Xin Huang; Yankun Tang; Shuai Dong

doi:10.1063/1.4793644

Strain-engineered A-type antiferromagnetic order in YTiO$_3$: a first-principles calculation

Materials Science 2013-04-04 v1 Strongly Correlated Electrons

Authors: Xin Huang , Yankun Tang , Shuai Dong

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Abstract

The epitaxial strain effects on the magnetic ground state of YTiO $_3$ films grown on LaAlO $_3$ substrates have been studied using the first-principles density-functional theory. With the in-plane compressive strain induced by LaAlO $_3$ (001) substrate, A-type antiferromagnetic order emerges against the original ferromagnetic order. This phase transition from ferromagnet to A-type antiferromagnet in YTiO $_3$ film is robust since the energy gain is about 7.64 meV per formula unit despite the Hubbard interaction and modest lattice changes, even though the A-type antiferromagnetic order does not exist in any $R$ TiO $_3$ bulks.

Keywords

thin films

Cite

@article{arxiv.1211.3639,
  title  = {Strain-engineered A-type antiferromagnetic order in YTiO$_3$: a first-principles calculation},
  author = {Xin Huang and Yankun Tang and Shuai Dong},
  journal= {arXiv preprint arXiv:1211.3639},
  year   = {2013}
}

Comments

3 pages, 2 figures. Proceeding of the 12th Joint MMM/Intermag Conference. Accepted by JAP

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