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Register a new userAtomic-Precision Fabrication of Quasi-Full-Space Grain Boundaries in Two-Dimensional Hexagonal Boron Nitride
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Precise control and in-depth understanding of the interfaces is crucial for the functionality-oriented material design with desired properties. Herein, via modifying the long-standing bicrystal strategy, we proposed a novel nanowelding approach to build up interfaces between two-dimensional (2D) materials with atomic precision. This method enabled us, for the first time, to experimentally achieve the quasi-full-parameter-space grain boundaries (GBs) in 2D hexagonal boron nitride (h-BN). It further helps us unravel the long-term controversy and confusion on the registry of GBs in h-BN, including i) discriminate the relative contribution of the strain and chemical energy on the registry of GBs; ii) identify a new dislocation core- Frank partial dislocation and four new anti-phase boundaries; and iii) confirm the universal GB faceting. Our work provides a new paradigm to the exploiting of structural-property correlation of interfaces in 2D materials.
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Large-area two-dimensional (2D) materials for technical applications can now be produced by chemical vapor deposition (CVD). Unfortunately, grain boundaries (GBs) are ubiquitously introduced as a result of the coalescence of grains with different crystallographic orientations. It is well known that the properties of materials largely depend on GB structures. Here, we carried out a systematic study on the GB structures in CVD-grown polycrystalline h-BN monolayer films by transmission electron microscope. Interestingly, most of these GBs are revealed to be formed via overlapping between neighboring grains, which are distinct from the covalently bonded GBs as commonly observed in other 2D materials. Further density functional theory (DFT) calculations show that the hydrogen plays an essential role in overlapping GB formation. This work provides an in-depth understanding of the microstructures and formation mechanisms of GBs in CVD-grown h-BN films, which should be informative in guiding the precisely controlled synthesis of large area single crystalline h-BN and other 2D materials.
Growing interest in devices based on layered van der Waals (vdW) materials is motivating the development of new nanofabrication methods. Hexagonal boron nitride (hBN) is one of the most promising materials for studies of quantum photonics and polaritonics. Here, we report in detail on a promising nanofabrication processes used to fabricate several hBN photonic devices using a hybrid electron beam induced etching (EBIE) and reactive ion etching (RIE) technique. We highlight the shortcomings and benefits of RIE and EBIE and demonstrate the utility of the hybrid approach for the fabrication of suspended and supported device structures with nanoscale features and highly vertical sidewalls. Functionality of the fabricated devices is proven by measurements of high quality cavity optical modes (Q~1500). Our nanofabrication approach constitutes an advance towards an integrated, monolithic quantum photonics platform based on hBN and other layered vdW materials.
The relative orientation of successive sheets, i.e. the stacking sequence, in layered two-dimensional materials is central to the electronic, thermal, and mechanical properties of the material. Often different stacking sequences have comparable cohesive energy, leading to alternative stable crystal structures. Here we theoretically and experimentally explore different stacking sequences in the van der Waals bonded material hexagonal boron nitride (h-BN). We examine the total energy, electronic bandgap, and dielectric response tensor for five distinct high symmetry stacking sequences for both bulk and bilayer forms of h-BN. Two sequences, the generally assumed AA sequence and the relatively unknown (for h-BN) AB (Bernal) sequence, are predicted to have comparably low energy. We present a scalable modified chemical vapor deposition method that produces large flakes of virtually pure AB stacked h-BN; this new material complements the generally available AA stacked h-BN.
High pressure Raman experiments on Boron Nitride multi-walled nanotubes show that the intensity of the vibrational mode at ~ 1367 cm-1 vanishes at ~ 12 GPa and it does not recover under decompression. In comparison, the high pressure Raman experiments on hexagonal Boron Nitride show a clear signature of a phase transition from hexagonal to wurtzite at ~ 13 GPa which is reversible on decompression. These results are contrasted with the pressure behavior of carbon nanotubes and graphite.
Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve the material by giving it a qualitatively new physical property: magnetism. The dislocations studied all have a substantial magnetic moment of ~1 Bohr magneton. In contrast, dislocations in other well-studied 2D materials are typically non-magnetic. GBs composed of pentagon-heptagon pairs interact ferromagnetically and transition from semiconductor to half-metal or metal as a function of tilt angle and/or doping level. When the tilt angle exceeds 47{deg} the structural energetics favor square-octagon pairs and the GB becomes an antiferromagnetic semiconductor. These exceptional magnetic properties arise from an interplay of dislocation-induced localized states, doping, and locally unbalanced stoichiometry. Purposeful engineering of topological GBs may be able to convert MX2 into a promising 2D magnetic semiconductor.
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