Theoretical Prediction of the Intrinsic Half-metallicity in One-dimensional Cr2NO2 Nanoribbons

来源 :结构化学 | 被引量 : 0次 | 上传用户：snailswuya

【摘要】

：

One-dimensional Cr_2NO_2 nanoribbons cut from the oxygen-passivated Cr_2NO_2 MXene were investigated by using density functional theory. The wide nanoribbons ha

【作者】

：

WANG Guo LIAO Yi

【机构】

：

DepartmentofChemistry

【出处】

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结构化学

【发表日期】

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2017年9期

【关键词】

：

半金属理论预测一维自旋电子学本征密度泛函理论电子装置宽频带 Cr2NO2 nanoribbon intrinsic half-metallici

【基金项目】

：

supported by the National Natural Science Foundation of China（No.21203127）, the Scientific Research Base Development Program of the Beijing Municipal Commission of Education

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论文部分内容阅读

One-dimensional Cr_2NO_2 nanoribbons cut from the oxygen-passivated Cr_2NO_2 MXene were investigated by using density functional theory. The wide nanoribbons have ferromagnetic ground states and are intrinsic half-metals, independent of their chirality. T

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Theoretical Prediction of the Intrinsic Half-metallicity in One-dimensional Cr2NO2 Nanoribbons

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