Anisotropic Ripple Deformation in Phosphorene.
Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.
†Integrated Materials Design Centre (IMDC), School of Chemical Engineering, University of New South Wales, Sydney, New South Wales 2052, Australia.
Liangzhi
L
Kou
‡Engineering and Science, Jacobs University Bremen, Campus Ring 1, 28759 Bremen, Germany.
Yandong
Y
Ma
†Integrated Materials Design Centre (IMDC), School of Chemical Engineering, University of New South Wales, Sydney, New South Wales 2052, Australia.
Sean C
SC
Smith
§Department of Physics and Astronomy and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States.
Changfeng
C
Chen
Anisotropic Ripple Deformation; First-Principles Calculations; Phosphorene