Thermally-driven phase transitions in freestanding low-buckled silicene, germanene, and stanene

Low-buckled silicene, germanene, and stanene are group$-IV$ graphene allotropes. They form a honeycomb lattice out of two interpenetrating ($A$ and $B$) triangular sublattices that are vertically separated by a small distance $\Delta_z$. The atomic numbers $Z$ of silicon, germanium, and tin are larger to carbon's ($Z_C=6$), making them the first experimentally viable two-dimensional topological insulators. Those materials have a twice-energy-degenerate atomistic structure characterized by the buckling direction of the $B$ sublattice with respect to the $A$ sublattice [whereby the $B-$atom either protrudes {\em above} ($\Delta_z>0$) or {\em below} ($\Delta_z<0$) the $A-$atoms], and the consequences of that energy degeneracy on their elastic and electronic properties have not been reported thus far. Here, we uncover {\em ferroelastic, bistable} behavior on silicene, which turns into an {\em average} planar structure at about 600 K. Further, the creation of electron and hole puddles obfuscates the zero-temperature SOC induced band gaps at temperatures as low as 200 K, which may discard silicene as a viable two-dimensional topological insulator for room temperature applications. Germanene, on the other hand, never undergoes a low-buckled to planar 2D transformation, becoming amorphous at around 675 K instead, and preserving its SOC-induced bandgap despite of band broadening. Stanene undergoes a transition onto a crystalline 3D structure at about 300 K, preserving its SOC-induced electronic band gap up to that temperature. Unlike what is observed in silicene and germanene, stanene readily develops a higher-coordinated structure with a high degree of structural order. The structural phenomena is shown to have deep-reaching consequences for the electronic and vibrational properties of those two dimensional topological insulators.Comment: 16 pages, 21 figures. Originally submitted on December 5, 202

Vortex-oriented ferroelectric domains in SnTe/PbTe monolayer lateral heterostructures

Heterostructures formed from interfaces between materials with complementary properties often display unconventional physics. Of especial interest are heterostructures formed with ferroelectric materials. These are mostly formed by combining thin layers in vertical stacks. Here the first in situ molecular beam epitaxial growth and scanning tunneling microscopy characterization of atomically sharp lateral heterostructures between a ferroelectric SnTe monolayer and a paraelectric PbTe monolayer are reported. The bias voltage dependence of the apparent heights of SnTe and PbTe monolayers, which are closely related to the type-II band alignment of the heterostructure, is investigated. Remarkably, it is discovered that the ferroelectric domains in the SnTe surrounding a PbTe core form either clockwise or counterclockwise vortex-oriented quadrant configurations. In addition, when there is a finite angle between the polarization and the interface, the perpendicular component of the polarization always points from SnTe to PbTe. Supported by first-principles calculation, the mechanism of vortex formation and preferred polarization direction is identified in the interaction between the polarization, the space charge, and the strain effect at the horizontal heterointerface. The studies bring the application of 2D group-IV monochalcogenides on in-plane ferroelectric heterostructures a step closer

Microscopic manipulation of ferroelectric domains in SnSe monolayers at room temperature

Two-dimensional (2D) van der Waals ferroelectrics provide an unprecedented architectural freedom for the creation of artificial multiferroics and non-volatile electronic devices based on vertical and co-planar heterojunctions of 2D ferroic materials. Nevertheless, controlled microscopic manipulation of ferroelectric domains is still rare in monolayer-thick 2D ferroelectrics with in-plane polarization. Here we report the discovery of robust ferroelectricity with a critical temperature close to 400 K in SnSe monolayer plates grown on graphene, and the demonstration of controlled room temperature ferroelectric domain manipulation by applying appropriate bias voltage pulses to the tip of a scanning tunneling microscope (STM). This study shows that STM is a powerful tool for detecting and manipulating the microscopic domain structures in 2D ferroelectric monolayers, which is difficult for conventional approaches such as piezoresponse force microscopy, thus facilitating the hunt for other 2D ferroelectric monolayers with in-plane polarization with important technological applications

A Molecular Platinum Cluster Junction: A Single-Molecule Switch

We present a theoretical study of the electronic transport through single-molecule junctions incorporating a Pt6 metal cluster bound within an organic framework. We show that the insertion of this molecule between a pair of electrodes leads to a fully atomically engineered nano-metallic device with high conductance at the Fermi level and two sequential high on/off switching states. The origin of this property can be traced back to the existence of a HOMO which consists of two degenerate and asymmetric orbitals, lying close in energy to the Fermi level of the metallic leads. Their degeneracy is broken when the molecule is contacted to the leads, giving rise to two resonances which become pinned close to the Fermi level and display destructive interference.Comment: 4 pages, 4 figures. Reprinted (adapted) with permission from J. Am. Chem. Soc., 2013, 135 (6), 2052. Copyright 2013 American Chemical Societ

Charge Transport through Graphene Junctions with Wetting Metal Leads

[[sponsorship]]原子與分子科學研究所[[note]]已出版;[SCI];有審查制度;具代表性[[note]]http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Drexel&SrcApp=hagerty_opac&KeyRecord=1530-6984&DestApp=JCR&RQ=IF_CAT_BOXPLO

Conductance modulation of metallic carbon nanotubes by remote charged rings

We calculate the effects of a longitudinal electrostatic perturbation on a metallic single-wall carbon nanotube and demonstrate conductance modulation. Such external modulation would be completely screened in bulk 3D metals but is possible in SWNTs because their electrons are quasi–two-dimensional and can interact with a nearby system of charges. The resultant modulation of the conductance is determined by the strength of the self-consistent potential and its periodicity over shorter or longer distances. We employ the zero-temperature single-particle Green's function transport approach in the empirical tight-binding approximation to quantify the modulation of conductance and also consider the limit of a superlattice