TY - JOUR
T1 - Termination-dependent electronic and magnetic properties of ultrathin SrRuO3 (111) films on SrTiO3
AU - Kim, Bongjae
AU - Min, B. I.
PY - 2014/5/12
Y1 - 2014/5/12
N2 - We have investigated electronic and magnetic properties of ultrathin SrRuO3 (SRO) films grown on (111) SrTiO3 substrates using the ab initio electronic structure calculations. Ru-terminated SRO (111) films suffer from strong surface atomic relaxations, while SrO3-terminated ones preserve the surface structure of ideal perovskites. Both Ru- and SrO3-terminated SRO (111) films show unexpected interlayer antiferromagnetic (AFM) structures at the surface, but with different characters and mechanisms. The AFM structure for the former results from the large surface atomic relaxation, whereas that for the latter results from the truncated film effect. Interestingly, for the SrO3-termination case, the half-metallic nature emerges despite the interlayer AFM structure. Upon reducing the thickness, the collapsing behavior of magnetic anisotropy from out-of-plane to in-plane easy axis is found to occur for the Ru-termination case, which, however, does not pertain to the SrO3-termination case.
AB - We have investigated electronic and magnetic properties of ultrathin SrRuO3 (SRO) films grown on (111) SrTiO3 substrates using the ab initio electronic structure calculations. Ru-terminated SRO (111) films suffer from strong surface atomic relaxations, while SrO3-terminated ones preserve the surface structure of ideal perovskites. Both Ru- and SrO3-terminated SRO (111) films show unexpected interlayer antiferromagnetic (AFM) structures at the surface, but with different characters and mechanisms. The AFM structure for the former results from the large surface atomic relaxation, whereas that for the latter results from the truncated film effect. Interestingly, for the SrO3-termination case, the half-metallic nature emerges despite the interlayer AFM structure. Upon reducing the thickness, the collapsing behavior of magnetic anisotropy from out-of-plane to in-plane easy axis is found to occur for the Ru-termination case, which, however, does not pertain to the SrO3-termination case.
UR - http://www.scopus.com/inward/record.url?scp=84900509741&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.89.195411
DO - 10.1103/PhysRevB.89.195411
M3 - Article
AN - SCOPUS:84900509741
SN - 1098-0121
VL - 89
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 19
M1 - 195411
ER -