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Register a new userExploring semiconductor substrates for Silicene epitaxy
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Added by
Saswata Bhattacharya Dr.
Publication date
2013
fields
Physics
and research's language is
English
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We have carried out first-principles based DFT calculation on electronic properties of silicene monolayer on various (111) semi-conducting surfaces. We find that the relative stability and other properties of the silicene overlayer depends sensitively on whether the interacting top layer of the substrate is metal or non-metal terminated. The nature of silicene-monolayer on the metal termi- nated surface can be metallic or even magnetic, depending upon the choice of the substrate. The silicene overlayer undergoes n-type doping on metal terminated surface while it undergoes p-type doping on non metal terminated surfaces of the semiconductor substrates.
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Silicene, as the silicon analog of graphene, has been successfully fabricated by epitaxial growing on various substrates. Similar to free-standing graphene, free-standing silicene possesses a honeycomb structure and Dirac-cone-shaped energy band, resulting in many fascinating properties such as high carrier mobility, quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. The maintenance of the honeycomb crystal structure and the Dirac cone of silicene is crucial for observation of its intrinsic properties. In this review, we systematically discuss the substrate effects on the atomic structure and electronic properties of silicene from a theoretical point of view, especially focusing on the changes of the Dirac cone.
We propose a guideline for exploring substrates that stabilize the monolayer honeycomb structure of silicene and germanene while simultaneously preserve the Dirac states: in addition to have a strong binding energy to the monolayer, a suitable substrate should be a large-gap semiconductor with a proper workfunction such that the Dirac point lies in the gap and far from the substrate states when their bands align. We illustrate our idea by performing first-principles calculations for silicene and germanene on the Al-terminated (0001) surface of Al2O3 . The overlaid monolayers on Al-terminated Al2O3(0001) retain the main structural profile of the low-buckled honeycomb structure via a binding energy comparable to the one between silicene and Ag(111). Unfolded band structure derived from the k-projection method reveals that gapped Dirac cone is formed at the K point due to the structural distortion and the interaction with the substrate. The gaps of 0.4 eV and 0.3 eV respectively for the supported silicene and germanene suggest that they may have potential applications in nanoelectronics.
High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we performed DFT calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n-type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the zigzag and armchair directions may permit the design of novel n-type electronic materials and spinctronics devices that incorporate both high electron affinities and very low internal reorganization energies.
Controlling the properties of semiconductor/metal interfaces is a powerful method for designing functionality and improving the performance of electrical devices. Recently semiconductor/superconductor hybrids have appeared as an important example where the atomic scale uniformity of the interface plays a key role for the quality of the induced superconducting gap. Here we present epitaxial growth of semiconductor-metal core-shell nanowires by molecular beam epitaxy, a method that provides a conceptually new route to controlled electrical contacting of nanostructures and for designing devices for specialized applications such as topological and gate-controlled superconducting electronics. Our materials of choice, InAs/Al, are grown with epitaxially matched single plane interfaces, and alternative semiconductor/metal combinations allowing epitaxial interface matching in nanowires are discussed. We formulate the grain growth kinetics of the metal phase in general terms of continuum parameters and bicrystal symmetries. The method realizes the ultimate limit of uniform interfaces and appears to solve the soft-gap problem in superconducting hybrid structures.
The direct growth of semiconductors over metals by molecular beam epitaxy is a difficult task due to the large differences in crystallization energy between these types of materials. This aspect is problematic in the context of spintronics, where coherent spin-injection must proceed via ballistic transport through sharp interfacial Schottky barriers. We report the realization of single-crystalline ferromagnet/semiconductor/ferromagnet hybrid trilayers using solid-phase epitaxy, with combinations of Fe3Si, Co2FeSi, and Ge. The slow annealing of amorphous Ge over Fe3Si results in a crystalline filmlm identified as FeGe2. When the annealing is performed over Co2FeSi, reflected high-energy electron diffraction and X-ray diffraction indicate the creation of a different crystalline Ge(Co,Fe,Si) compound, which also preserves growth orientation. It was possible to observe independent magnetization switching of the ferromagnetic layers in a Fe3Si/FeGe2/Co2FeSi sample, thanks to the different coercive fields of the two metals and to the quality of the interfaces. This result is a step towards the implementation of vertical spin-selective transistor-like devices.
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