Antiferromagnetic monolayer MnC2 with density functional theory prediction. (3rd April 2018)

• Record Type: Journal Article
• Authors: Zhang, Bingwen; Zhang, Qinfang; Bai, Yujie
• Is Part Of: Journal of physics. Volume 30:Number 17(2018)
• Publication Date: 2018-04-03
• Subjects: 2D materials -- density functional theory -- Néel temperature; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/aab6c4
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: 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 Néel temperature around 280 K and from the Dirac point of the electronic band we got the fermi velocity of 5.37 × 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.