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Antiferromagnetic monolayer MnC2 with density functional theory prediction
Bingwen Zhang1,2, Qinfang Zhang1,2, Yujie Bai2
1National Laboratory of Solid State Microstructures, Collaborative Innovation Center of Advanced Microstructures, and Department of Physics, Nanjing University, Nanjing 210093, People's Republic of China.
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 [Formula: see text] 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 [Formula: see text] 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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