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Observation of ballistic avalanche phenomena in nanoscale vertical InSe/BP heterostructures
Anyuan Gao, Jiawei Lai, Yaojia Wang +13
Initiating impact ionization of avalanche breakdown essentially requires applying a high electric field in a long active region, hampering carrier-multiplication with high gain, lo…
Two-dimensional phosphorus carbide: Competition between sp2 and sp3 bonding
Jie Guan, Dan Liu, Zhen Zhu +1
We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition…
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus
Luke Shulenburger, Andrew D. Baczewski, Zhen Zhu +2
An outstanding challenge of theoretical electronic structure is the description of van der Waals (vdW) interactions in molecules and solids. Renewed interest in resolving this is i…
Designing isoelectronic counterparts to layered group V semiconductors
Zhen Zhu, Jie Guan, Dan Liu +1
In analogy to III-V compounds, which have significantly broadened the scope of group IV semiconductors, we propose IV-VI compounds as isoelectronic counterparts to layered group V…
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…
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…
Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: An ab-initio density-functional study
Ceren Tayran, Zhen Zhu, Matteo Baldoni +3
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bar…
Formation and Stability of Cellular Carbon Foam Structures:An {\em Ab Initio} Study
Zhen Zhu, David Tománek
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with…