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arxiv: 1308.0253 · v3 · pith:Z6DDENSInew · submitted 2013-08-01 · ❄️ cond-mat.mtrl-sci

Half-Semiconductor antiferromagnets and Spin-Gapless-Semiconductor antiferromagnets

classification ❄️ cond-mat.mtrl-sci
keywords antiferromagnetshalf-semiconductorspinachieveachievedapproachbandsbelong
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We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory plus Hubbard U (DFT+U) methods, we find a viable approach to achieve the half-semiconductor antiferromagnets through the transition metal (TM) Fe and Cr codoped boron nitride(BN) sheet. Moreover, spin gapless semiconductor antiferromagnets with zero magnetic moment are also achieved in such systems.

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