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The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a model, here we develop scanning atomic electron tomography (sAET) to determine the 3D atomic positions and crystal defects such as dopants, vacancies and ripples with a precision down to 4 picometers. We measure the 3D bond distortion and local strain tensor induced by single dopants for the first time. By directly providing experimental 3D atomic coordinates to density functional theory (DFT), we obtain more truthful electronic band structures than those derived from conventional DFT calculations relying on relaxed 3D atomic models, which is confirmed by photoluminescence measurements. We anticipate that sAET is not only generally applicable to the determination of the 3D atomic coordinates of 2D materials, heterostructures and thin films, but also could transform ab initio calculations by using experimental 3D atomic coordinates as direct input to better predict and discover new physical, chemical and electronic properties.
Platinum diselenide (PtSe${_2}$) is a two-dimensional (2D) material with outstanding electronic and piezoresistive properties. The material can be grown at low temperatures in a scalable manner which makes it extremely appealing for many potential el
2D materials offer an ideal platform to study the strain fields induced by individual atomic defects, yet challenges associated with radiation damage have so-far limited electron microscopy methods to probe these atomic-scale strain fields. Here, we
The 3D local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic and topological quantum properties, but have thus far eluded any direct experimental determination. Here w
The electronic and magnetic properties of transition metal dichalcogenides are known to be extremely sensitive to their structure. In this paper we study the effect of structure on the electronic and magnetic properties of mono- and bilayer $VSe_2$ f
Contact interface properties are important in determining the performances of devices based on atomically thin two-dimensional (2D) materials, especially those with short channels. Understanding the contact interface is therefore quite important to d