Polymorphic germanium films forming in slit nanopore

YZ He and H Li and YW Sui and FX Wei and QK Meng and JQ Qi, COMPUTATIONAL MATERIALS SCIENCE, 127, 187-193 (2017).

DOI: 10.1016/j.commatsci.2016.10.041

The solidification of two-dimensional liquid germanium confined to slit nanopores with different sizes has been studied using molecular dynamics simulations. The results clearly show that the system undergoes an obvious liquid-solid phase transition to polymorphic ordered germanium films with the decrease of temperature, accompanied by dramatic change in potential energy and coordination number. Moreover, it is found that the slit size is of vital importance to the transition point and the structure of the germanium films. The results of radial distribution functions, density distribution functions and angular distribution functions suggest the obtained germanium films have various novel structures different from the graphene. (C) 2016 Elsevier B.V. All rights reserved.

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