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Phagraphene nanoribbons: Half-metallicity and magnetic phase transition by functional groups and electric field

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成果类型:
期刊论文
作者:
Yuan, P. F.;Hu, R.;Fan, Z. Q.;Zhang, Z. H.*
通讯作者:
Zhang, Z. H.
作者机构:
[Yuan, P. F.; Fan, Z. Q.; Zhang, Z. H.; Hu, R.] Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.
通讯机构:
[Zhang, Z. H.] C
Changsha Univ Sci & Technol, Inst Nanomat & Nanostruct, Changsha 410114, Hunan, Peoples R China.
语种:
英文
关键词:
Astrophysics;Calculations;Electric fields;Free energy;Functional groups;Gibbs free energy;Magnetic materials;Magnetism;Metals;Nanoribbons;Critical electric field;Experimental realizations;External electric field;First-principles calculation;Half metals;Magnetic nanomaterials;Magnetic phase transitions;phagraphene nanoribbon;Electric switches
期刊:
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN:
0953-8984
年:
2018
卷:
30
期:
44
页码:
445802
基金类别:
This work was supported by the National Natural Science Foundation of China (Grant Nos: 61771076, 61371065 and 51604042).
机构署名:
本校为第一且通讯机构
院系归属:
物理与电子科学学院
摘要:
Magnetic nanomaterials with the desirable nature are the basis for developing future spintronic devices, and research for them is of fundamental interest. Here, we explore the realization of half-metallicity and magnetic phase transition for phagraphene nanoribbons in virtue of functional groups (OH and CN) with different coverage fractions and external electric fields. The first-principles calculations show that a single-edge CN functionalization only makes a intrinsic spin-degenerate semiconducting ribbon converted to a quasi-metal or metal, ...

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