One often counts the nearest neighbouring (NN) exchange interactions for understanding of a magnetic insulator. Here we present first-principles calculations for the newly synthesized double perovskites Sr2NiIrO6 and Sr2ZnIrO6, and we find that the 2NN Ir-Ir antiferromagnetic coupling is even stronger than the 1NN Ni-Ir ferromagnetic one. Thus, the leading antiferromagnetic interactions in the fcc Ir sublattice give rise to a magnetic frustration. Sr2NiIrO6 and Sr2ZnIrO6 hence appear very similarly as a distorted low-temperature antiferromagnet (probably, of type III). This work highlights the long-range magnetic interactions of the delocalized 5d electrons, and it also addresses why the spin-orbit coupling is ineffective here.
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Changwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South KoreaChangwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South Korea
Rao, Tentu Nageswara
Uddin, Riyaz
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Changwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South KoreaChangwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South Korea
Uddin, Riyaz
Kim, Jong Woo
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Korea Inst Mat Sci, Powder & Ceram Div, Chang Won 51508, Gyeongnam, South KoreaChangwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South Korea
Kim, Jong Woo
Koo, Bon Heun
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Changwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South KoreaChangwon Natl Univ, Sch Mat Sci & Engn, Chang Won 51140, Gyeongnam, South Korea
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Australian Nucl Sci & Technol Org, Lucas Heights, NSW 2234, AustraliaUniv Sydney, Sch Chem, Sydney, NSW 2006, Australia
Aydeev, Maxim
Yamaura, Kazunari
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Natl Inst Mat Sci, Res Ctr Funct Mat, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan
Hokkaido Univ, Grad Sch Chem Sci & Engn, Kita Ku, North 10 West 8, Sapporo, Hokkaido 0600810, JapanUniv Sydney, Sch Chem, Sydney, NSW 2006, Australia
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Natl Taiwan Normal Univ, Affiliated Senior High Sch, Taipei 10658, TaiwanNatl Taiwan Normal Univ, Affiliated Senior High Sch, Taipei 10658, Taiwan
Lee, Po-Han
Zhou, Jian
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Nanjing Univ, Dept Mat Sci & Engn, Nanjing 210093, Jiangsu, Peoples R ChinaNatl Taiwan Normal Univ, Affiliated Senior High Sch, Taipei 10658, Taiwan
Zhou, Jian
Pi, Shu-Ting
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USA
Natl Taiwan Normal Univ, Ctr Gen Educ, Taipei 10610, TaiwanNatl Taiwan Normal Univ, Affiliated Senior High Sch, Taipei 10658, Taiwan
Pi, Shu-Ting
Wang, Yin-Kuo
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Univ Calif Davis, Dept Phys, Davis, CA 95616 USA
Natl Taiwan Normal Univ, Ctr Gen Educ, Taipei 10610, TaiwanNatl Taiwan Normal Univ, Affiliated Senior High Sch, Taipei 10658, Taiwan