6.5k citations · 9.6k across the 19 of their papers we have counts for
19 papers
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…
Structural Transition in Layered AsP Compounds: A Computational Study
Zhen Zhu, Jie Guan, David Tomanek
As a way to further improve the electronic properties of group V layered semiconductors, we propose to form in-layer 2D heterostructures of black phosphorus and grey arsenic. We us…
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…
Relative Stability and Local Curvature Analysis in Carbon Nanotori
Chern Chuang, Jie Guan, David Witalka +3
We introduce a concise formalism to characterize nanometer-sized tori based on carbon nanotubes and to determine their stability by combining {\em ab initio} density functional cal…
Electronic Structure and Transport in Graphene/Haeckelite Hybrids: An {\em Ab Initio} Study
Zhen Zhu, Zacharias G. Fthenakis, David Tomanek
We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexag…
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…
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…