TY - JOUR
T1 - Magnetic coupling mechanism in A-site ordered perovskite YMn 3Al4O12
T2 - Extended (Mn-O)-(O-Mn) superexchange
AU - Li, Hongping
AU - Liu, Xiaojuan
AU - Li, Changsheng
AU - Lv, Shuhui
AU - Bai, Yijia
AU - Wang, Zhongchang
AU - Meng, Jian
PY - 2013
Y1 - 2013
N2 - A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn3Al4O 12, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn3Al4O12, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.
AB - A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn3Al4O 12, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn3Al4O12, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.
KW - Double perovskite
KW - Electronic and magnetic properties
KW - Extended superexchange
KW - First-principles
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U2 - 10.1016/j.solidstatesciences.2012.11.016
DO - 10.1016/j.solidstatesciences.2012.11.016
M3 - Article
AN - SCOPUS:84872704611
VL - 17
SP - 63
EP - 66
JO - Solid State Sciences
JF - Solid State Sciences
SN - 1293-2558
ER -