2019/07/01 by Xiang-Bo Xiao, Xiao, Xiang-Bo, Bang-Gui Liu +1
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1907.00898
5 pages, 5 figures
arxiv created 2019/07/05 · arxiv updated 2019/07/08
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials. We find four stable 2D monolayer materials from SrTiO3, LaAlO3, KTaO3, and BaFeO3, denoting them as STO-ML, LAO-ML, KTO-ML, and BFO-ML. Our further study shows that through overcoming dangling bonds the first three monolayers are 2D wide-gap semiconducotors, and BFO-ML is a 2D isotropic Heisenberg ferromagnetic metal. There is a large electrostatic potential energy difference between the two sides, reflecting a large out-of-plane dipole, in each of the monolayers. These make a series of 2D monolayer materials, and should be useful in novel electronic devices considering emerging phenomena in perovskite oxide heterostructures.