TY - JOUR
T1 - Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses
AU - Jiwuer, Jilili
AU - Cossu, Fabrizio
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2015/9/1
Y1 - 2015/9/1
N2 - We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO3)n/(SrTiO3)m (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO3, strongly distorted O octahedra are observed in the SrTiO3 layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO3 and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO3 and SrTiO3 layer thicknesses originates from modifications of the Ti dxy states.
AB - We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO3)n/(SrTiO3)m (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO3, strongly distorted O octahedra are observed in the SrTiO3 layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO3 and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO3 and SrTiO3 layer thicknesses originates from modifications of the Ti dxy states.
UR - http://hdl.handle.net/10754/577337
UR - http://www.nature.com/doifinder/10.1038/srep13762
UR - http://www.scopus.com/inward/record.url?scp=84940667566&partnerID=8YFLogxK
U2 - 10.1038/srep13762
DO - 10.1038/srep13762
M3 - Article
C2 - 26323361
SN - 2045-2322
VL - 5
JO - Scientific Reports
JF - Scientific Reports
IS - 1
ER -