Tunable Electronic and Magnetic Properties of Cr2M'C2T2(M'=Ti or V; T=O,OH or F)

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：wahuhihi

【摘要】

：

【作者】

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Jianhui Yang Xumeng Zhou Xuepiao Luo Shaozheng Zhang Liang Chen

【机构】

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College of Teacher Education,Quzhou University,Quzhou 324000,P.R.China;Ningbo Institute of Materials

【出处】

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第十三届全国量子化学会议

【发表日期】

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2017年10期

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　　Here we report on the magnetic properties and electronic structures of Cr2MC2T2(M=Ti,or V; T=O,OH,or F)systems investigated by means of first-principles calculations.Results indicate that Cr2MC2T2 can be nonmagnetic,anti-ferromagnetic,or ferromagnetic and either a semiconductor or metal depending on the choice of M and T and the through-bond coupling interactions that affect the arrangements of Cr2MC2T2 systems.

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Tunable Electronic and Magnetic Properties of Cr2M'C2T2(M'=Ti or V; T=O,OH or F)

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