Antiferromagnetic monolayer MnC2 with density functional theory prediction

被引：11
|
作者：
Zhang, Bingwen [1 ,2 ,3 ]
Zhang, Qinfang [1 ,2 ,3 ]
Bai, Yujie [3 ]
机构：
[1] Nanjing Univ, Natl Lab Solid State Microstruct, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China
[2] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China
[3] Yancheng Inst Technol, Key Lab Adv Technol Environm Protect Jiangsu Prov, Yancheng 224051, Peoples R China
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2018年 / 30卷 / 17期
关键词：
2D materials; density functional theory; Neel temperature; DIRAC FERMIONS; GRAPHENE; BOROPHENE; NANOTUBES; CAPACITY; MXENES;
D O I：
10.1088/1361-648X/aab6c4
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
A new monolayer MnC2 was predicted as a stable 2D material associated with the result of phonon and AIMD calculations. The in-plane young's modulus is 73.6 N m(-1), which is about 20% of graphene. The monolayer MnC2 is antiferromagnetic with a Neel temperature around 280 K and from the Dirac point of the electronic band we got the fermi velocity of 5.37 x 1.0(5) m s(-1) showing excellent electronic transport property. The MnC2 sheet also possesses a promising application as an anode material in lithium ion battery.
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页数：7
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