Structural and magnetic ordering behaviour of (Co, Ni, and Al) doped ZnO diluted magnetic semiconductor - Details

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Abstract：

The　stabilities　of　the　doped　configurations　and　the　ferromagnetic　ordering　behaviours　in　ZnO　system　are　studied　systematically　by　calculating　the　total　energies　of　the　ferromagnetic　and　antiferromagnetic　state　based　on　density　function　theory.　The　doping　atoms　tend　to　align　closely　each　other　to　hold　the　most　stable　configuration.　The　weak　ferromagnetic　properties　only　exists　in　the　case　when　the　doping　Co　atoms　is　a　little　far　from　each　other.　While　in　the　doping　system　Zn14Ni2O16,　the　structural　ordering　behavior　is　the　same　as　in　Zn14Co2O16　system,　but　the　ferromagnetic　state　is　always　favorable　in　all　the　configurations.　When　introducing　electrons　by　Al3+　in　the　(Co,　Al)　co-doping　Zn13Co2Al1O16　materials,　the　ferromagnetic　ordering　behavior　can　be　enhanced,　and　the　closer　between　Al　atom　and　Co-pair,　the　more　significant　of　ferromagnetic　state.　©2010　IEEE.

Keyword：

Aluminum compounds Antiferromagnetism Atoms Calculations Cobalt compounds Density functional theory Diluted magnetic semiconductors Ferromagnetic materials Ferromagnetism II-VI semiconductors Magnetization Nickel compounds Optoelectronic devices Photonics Semiconducting aluminum compounds Semiconducting zinc compounds Semiconductor doping Stability Wide band gap semiconductors Zinc oxide

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[ 1 ] [Fu, Jinbiao]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 2 ] [Wu, Bo]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 3 ] [Liu, Hailong]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 4 ] [Zhang, Chaohui]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 5 ] [Lin, Maohua]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 6 ] [Chen, Lu]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 7 ] [Zhang, Likun]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 8 ] [Chen, Tuo]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 9 ] [Ye, Guoxin]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China
[ 10 ] [Zhou, Baiyang]State Key Laboratory Breeding Base of Photocatalysis, School of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, China