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Strain-engineered A-type antiferromagnetic order in YTiO3: A first-principles calculation

2012/11/15 by Xin Huang, Yankun Tang, Shuai Dong
Materials Science · Physics and Astronomy · #Antiferromagnetism #Electronic and Structural Properties of Oxides #Epitaxy #Ferromagnetism #Ground state #Hubbard model #Lattice (music) #Magnetic and transport properties of perovskites and related materials #Magnetic structure #Multiferroics and related materials #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1063/1.4793644

published as J. Appl. Phys. 113, 17E108 (2013) · 3 pages, 2 figures. Proceeding of the 12th Joint MMM/Intermag Conference. Accepted by JAP

arxiv created 2012/11/15 · openalex publication_date 2013/02/27 · arxiv updated 2013/04/04 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

The epitaxial strain effects on the magnetic ground state of YTiO3 films grown on LaAlO3 substrates have been studied using the first-principles density-functional theory. With the in-plane compressive strain induced by LaAlO3 (001) substrate, A-type antiferromagnetic order emerges against the original ferromagnetic order. This phase transition from ferromagnet to A-type antiferromagnet in YTiO3 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 RTiO3 bulks.

Citations