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Simulated scanning tunneling microscopy images of few-layer-phosphorus capped by graphene and hexagonal boron nitride monolayers
Pablo Rivero, Cedric M. Horvath, Zhen Zhu +3
Elemental phosphorous is believed to have several stable allotropes that are energetically nearly degenerate, but chemically reactive. To prevent chemical degradation under ambient…
Tiling Phosphorene
Jie Guan, Zhen Zhu, David Tománek
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling patte…
High stability of faceted nanotubes and fullerenes of multi-phase layered phosphorus: A computational study
Jie Guan, Zhen Zhu, David Tománek
We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our…
Unusual Electronic Structure of Few-Layer Grey Arsenic: A Computational Study
Zhen Zhu, Jie Guan, David Tomanek
We use ab initio density functional theory to study the equilibrium geometry and electronic structure of few-layer grey arsenic. In contrast to the bulk structure that is semimetal…
Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study
Jie Guan, Zhen Zhu, David Tománek
Based on {\em ab initio} density functional calculations, we propose -P and -P as two additional stable structural phases of layered phosphorus besides the layered -P (bla…
Spontaneous graphitization of ultrathin cubic structures: A computational study
Pavel B. Sorokin, Alexander G. Kvashnin, Zhen Zhu +1
Results based on {\em ab initio} density functional calculations indicate a general graphitization tendency in ultrathin slabs of cubic diamond, boron nitride, and many other cubic…
Semiconducting layered blue phosphorus: A computational study
Zhen Zhu, David Tomanek
We investigate a previously unknown phase of phosphorus that shares its layered structure and high stability with the black phosphorus allotrope. We find the in-plane hexagonal str…
Local curvature and stability of two-dimensional systems
Jie Guan, Zhongqi Jin, Zhen Zhu +3
We propose a fast method to determine the local curvature in two-dimensional (2D) systems with arbitrary shape. The curvature information, combined with elastic constants obtained…
Topologically protected conduction state at carbon foam surfaces:An ab-initio study
Zhen Zhu, Zacharias G. Fthenakis, Jie Guan +1
We report results of \textit{ab initio} electronic structure and quantum conductance calculations indicating the emergence of conduction at the surface of semiconducting carbon foa…
Phosphorene: A New 2D Material with High Carrier Mobility
Han Liu, Adam T. Neal, Zhen Zhu +2
Preceding the current interest in layered materials for electronic applications, research in the 1960's found that black phosphorus combines high carrier mobility with a fundamenta…