کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1504117 1510976 2015 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study on the electronic structures and magnetic properties of a diluted magnetic semiconductor Ba1−xKx(Zn1−yMny)2As2
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
First-principles study on the electronic structures and magnetic properties of a diluted magnetic semiconductor Ba1−xKx(Zn1−yMny)2As2
چکیده انگلیسی


• Ba(Zn1−yMny)2As2 system is antiferromagnetic without holes doping.
• Holes drive the (Ba1−xKx)(Zn1−yMny)2As2 toward ferromagnetism.
• The ferromagnetism is attribute to the p-d exchange interactions mediated by holes.
• The ferromagnetism depends on both the concentration and distribution of K dopants.

Within Perdew-Burke-Ernzerhof generalized gradient approximation, first-principles calculations were performed to investigate the electronic structures and magnetic properties of II–II–V based DMS (Ba,K)(Zn,Mn)2As2 with holes doped via (Ba2+, K1+) replacements, and spins via isovalent (Zn2+, Mn2+) substitutions. Compound BaZn2As2 is paramagnetic semiconductor with a calculated band gap 0.28 eV. With Mn–Mn pair doped in different distances, Ba(Zn1−yMny)2As2 (y = 0.03125) system shows antiferromagnetic behaviour caused by the short-range superexchange interactions between localized spins of Mn2+ ions. Holes introduced by K dopants lead to metallic behaviour in (Ba1−xKx)(Zn1−yMny)2As2 system and drive the system toward ferromagnetism. The ferromagnetic coupling in the Mn–Mn pair is attributed to the long-range p−d exchange interactions mediated by itinerant holes. Competition between the antiferromagnetic superexchange and ferromagnetic interaction in the Mn–Mn pair determines the magnetic order of (Ba1−xKx)(Zn1−yMny)2As2 system, and the competition is dependent on both the concentration and distribution of K dopants.

Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Sciences - Volume 46, August 2015, Pages 102–106
نویسندگان
, , ,