Xianghua Kong

Bio: Xianghua Kong is an academic researcher from Renmin University of China. The author has contributed to research in topics: Materials science & Catalysis. The author has an hindex of 9, co-authored 10 publications receiving 3302 citations.

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

Abstract: Two-dimensional crystals are emerging materials for nanoelectronics. Development of the field requires candidate systems with both a high carrier mobility and, in contrast to graphene, a sufficiently large electronic bandgap. Here we present a detailed theoretical investigation of the atomic and electronic structure of few-layer black phosphorus (BP) to predict its electrical and optical properties. This system has a direct bandgap, tunable from 1.51 eV for a monolayer to 0.59 eV for a five-layer sample. We predict that the mobilities are hole-dominated, rather high and highly anisotropic. The monolayer is exceptional in having an extremely high hole mobility (of order 10,000 cm(2) V(-1) s(-1)) and anomalous elastic properties which reverse the anisotropy. Light absorption spectra indicate linear dichroism between perpendicular in-plane directions, which allows optical determination of the crystalline orientation and optical activation of the anisotropic transport properties. These results make few-layer BP a promising candidate for future electronics.

Interlayer electronic hybridization leads to exceptional thickness-dependent vibrational properties in few-layer black phosphorus

Abstract: Stacking two-dimensional (2D) materials into multi-layers or heterostructures, known as van der Waals (vdW) epitaxy, is an essential degree of freedom for tuning their properties on demand. Few-layer black phosphorus (FLBP), a material with high potential for nano- and optoelectronics applications, appears to have interlayer couplings much stronger than graphene and other 2D systems. Indeed, these couplings call into question whether the stacking of FLBP can be governed only by vdW interactions, which is of crucial importance for epitaxy and property refinement. Here, we perform a theoretical investigation of the vibrational properties of FLBP, which reflect directly its interlayer coupling, by discussing six Raman-observable phonons, including three optical, one breathing and two shear modes. With increasing sample thickness, we find anomalous redshifts of the frequencies for each optical mode but a blueshift for the armchair shear mode. Our calculations also show splitting of the phonon branches, due to anomalous surface phenomena, and strong phonon–phonon coupling. By computing uniaxial stress effects, inter-atomic force constants and electron densities, we provide a compelling demonstration that these properties are the consequence of strong and highly directional interlayer interactions arising from the electronic hybridization of the lone electron-pairs of FLBP, rather than from vdW interactions. This exceptional interlayer coupling mechanism controls the stacking stability of BP layers and thus opens a new avenue beyond vdW epitaxy for understanding the design of 2D heterostructures.

Layer and doping tunable ferromagnetic order in two-dimensional Cr S 2 layers

Abstract: Interlayer coupling is of vital importance for manipulating physical properties, e.g., electronic band gap, in two-dimensional materials. However, tuning magnetic properties in these materials is yet to be addressed. Here, we found the in-plane magnetic orders of $\mathrm{Cr}{\mathrm{S}}_{2}$ mono and few layers are tunable between striped antiferromagnetic (sAFM) and ferromagnetic (FM) orders by manipulating charge transfer between Cr ${t}_{2g}$ and ${e}_{g}$ orbitals. Such charge transfer is realizable through interlayer coupling, direct charge doping, or substituting S with Cl atoms. In particular, the transferred charge effectively reduces a portion of ${\mathrm{Cr}}^{4+}$ to ${\mathrm{Cr}}^{3+}$, which, together with delocalized S $p$ orbitals and their resulting direct S-S interlayer hopping, enhances the double-exchange mechanism favoring the FM rather than sAFM order. An exceptional interlayer spin-exchange parameter was revealed over $\ensuremath{-}10\phantom{\rule{0.16em}{0ex}}\mathrm{meV}$, an order of magnitude stronger than available results of interlayer magnetic coupling. It addition, the charge doping could tune $\mathrm{Cr}{\mathrm{S}}_{2}$ between $p$- and $n$-doped magnetic semiconductors. Given these results, several prototype devices were proposed for manipulating magnetic orders using external electric fields or mechanical motion. These results manifest the role of interlayer coupling in modifying magnetic properties of layered materials and shed considerable light on manipulating magnetism in these materials.

Interlayer electronic hybridization leads to exceptional thickness-dependent vibrational properties in few-layer black phosphorus

Abstract: Stacking two-dimensional (2D) materials into multi-layers or heterostructures, known as van der Waals (vdW) epitaxy, is an essential degree of freedom for tuning their properties on demand. Few-layer black phosphorus (FLBP), a material with high potential for nano- and optoelectronics applications, appears to have interlayer couplings much stronger than graphene and other 2D systems. Indeed, these couplings call into question whether the stacking of FLBP can be governed only by vdW interactions, which is of crucial importance for epitaxy and property refinement. Here, we perform a theoretical investigation of the vibrational properties of FLBP, which reflect directly its interlayer coupling, by discussing six Raman-observable phonons, including three optical, one breathing, and two shear modes. With increasing sample thickness, we find anomalous redshifts of the frequencies for each optical mode but a blueshift for the armchair shear mode. Our calculations also show splitting of the phonon branches, due to anomalous surface phenomena, and strong phonon-phonon coupling. By computing uniaxial stress effects, inter-atomic force constants, and electron densities, we provide a compelling demonstration that these properties are the consequence of strong and highly directional interlayer interactions arising from electronic hybridization of the lone electron-pairs of FLBP, rather than from vdW interactions. This exceptional interlayer coupling mechanism controls the stacking stability of BP layers and thus opens a new avenue beyond vdW epitaxy for understanding the design of 2D heterostructures.

Charge-governed phase manipulation of few-layer tellurium.

Abstract: Few-layer tellurium is an emerging quasi-one-dimensional layered material. The striking feature of Te is its presence as various few-layer allotropes (α-δ). Although these allotropes offer substantially different physical properties, only the α phase has been synthesized in neutral few-layers as it is so far the most stable few-layer form. Herein, we show that hole or electron doping could maintain a certain Te phase. The β, α, γ and δ phases appear as the most stable forms of Te bilayer, in sequence, with bandgap variations over 1 eV. In Te trilayer, a novel metallic chiral α + δ phase emerges, leading to the appearance of chirality. Transitions among these phases, understood at the wavefunction level, are accompanied by the emergence or elimination of inversion centers (α-β, α-γ, α-α + δ), structural anisotropy (α-γ, γ-δ) and chirality (α-α + δ), which could result in substantial changes in optical and other properties. In light of these findings, our work opens a new avenue for stabilizing different allotropes of layered materials; this is crucial for using their outstanding properties. This study also suggests the possibility of building mono-elemental electronic and optoelectronic heterostructures or devices, which are attractive for future applications in electronics.

2D materials and van der Waals heterostructures

Abstract: BACKGROUND Materials by design is an appealing idea that is very hard to realize in practice. Combining the best of different ingredients in one ultimate material is a task for which we currently have no general solution. However, we do have some successful examples to draw upon: Composite materials and III-V heterostructures have revolutionized many aspects of our lives. Still, we need a general strategy to solve the problem of mixing and matching crystals with different properties, creating combinations with predetermined attributes and functionalities. ADVANCES Two-dimensional (2D) materials offer a platform that allows creation of heterostructures with a variety of properties. One-atom-thick crystals now comprise a large family of these materials, collectively covering a very broad range of properties. The first material to be included was graphene, a zero-overlap semimetal. The family of 2D crystals has grown to includes metals (e.g., NbSe 2 ), semiconductors (e.g., MoS 2 ), and insulators [e.g., hexagonal boron nitride (hBN)]. Many of these materials are stable at ambient conditions, and we have come up with strategies for handling those that are not. Surprisingly, the properties of such 2D materials are often very different from those of their 3D counterparts. Furthermore, even the study of familiar phenomena (like superconductivity or ferromagnetism) in the 2D case, where there is no long-range order, raises many thought-provoking questions. A plethora of opportunities appear when we start to combine several 2D crystals in one vertical stack. Held together by van der Waals forces (the same forces that hold layered materials together), such heterostructures allow a far greater number of combinations than any traditional growth method. As the family of 2D crystals is expanding day by day, so too is the complexity of the heterostructures that could be created with atomic precision. When stacking different crystals together, the synergetic effects become very important. In the first-order approximation, charge redistribution might occur between the neighboring (and even more distant) crystals in the stack. Neighboring crystals can also induce structural changes in each other. Furthermore, such changes can be controlled by adjusting the relative orientation between the individual elements. Such heterostructures have already led to the observation of numerous exciting physical phenomena. Thus, spectrum reconstruction in graphene interacting with hBN allowed several groups to study the Hofstadter butterfly effect and topological currents in such a system. The possibility of positioning crystals in very close (but controlled) proximity to one another allows for the study of tunneling and drag effects. The use of semiconducting monolayers leads to the creation of optically active heterostructures. The extended range of functionalities of such heterostructures yields a range of possible applications. Now the highest-mobility graphene transistors are achieved by encapsulating graphene with hBN. Photovoltaic and light-emitting devices have been demonstrated by combining optically active semiconducting layers and graphene as transparent electrodes. OUTLOOK Currently, most 2D heterostructures are composed by direct stacking of individual monolayer flakes of different materials. Although this method allows ultimate flexibility, it is slow and cumbersome. Thus, techniques involving transfer of large-area crystals grown by chemical vapor deposition (CVD), direct growth of heterostructures by CVD or physical epitaxy, or one-step growth in solution are being developed. Currently, we are at the same level as we were with graphene 10 years ago: plenty of interesting science and unclear prospects for mass production. Given the fast progress of graphene technology over the past few years, we can expect similar advances in the production of the heterostructures, making the science and applications more achievable.

Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics

Abstract: The applications of graphene and transition metal dichalcogenides in electronics are limited by their zero-bandgap and low mobility, respectively. Here, the authors demonstrate the potential of an emerging layered material—black phosphorous—for thin film electronics and infrared optoelectronics.

Two-dimensional material nanophotonics

Abstract: The optical properties of graphene and emerging two-dimensional materials including transition metal dichalcogenides are reviewed with an emphasis on nanophotonic applications. Two-dimensional materials exhibit diverse electronic properties, ranging from insulating hexagonal boron nitride and semiconducting transition metal dichalcogenides such as molybdenum disulphide, to semimetallic graphene. In this Review, we first discuss the optical properties and applications of various two-dimensional materials, and then cover two different approaches for enhancing their interactions with light: through their integration with external photonic structures, and through intrinsic polaritonic resonances. Finally, we present a narrow-bandgap layered material — black phosphorus — that serendipitously bridges the energy gap between the zero-bandgap graphene and the relatively large-bandgap transition metal dichalcogenides. The plethora of two-dimensional materials and their heterostructures, together with the array of available approaches for enhancing the light–matter interaction, offers the promise of scientific discoveries and nanophotonics technologies across a wide range of the electromagnetic spectrum.

Recent Advances in Two-Dimensional Materials beyond Graphene

Abstract: The isolation of graphene in 2004 from graphite was a defining moment for the “birth” of a field: two-dimensional (2D) materials In recent years, there has been a rapidly increasing number of papers focusing on non-graphene layered materials, including transition-metal dichalcogenides (TMDs), because of the new properties and applications that emerge upon 2D confinement Here, we review significant recent advances and important new developments in 2D materials “beyond graphene” We provide insight into the theoretical modeling and understanding of the van der Waals (vdW) forces that hold together the 2D layers in bulk solids, as well as their excitonic properties and growth morphologies Additionally, we highlight recent breakthroughs in TMD synthesis and characterization and discuss the newest families of 2D materials, including monoelement 2D materials (ie, silicene, phosphorene, etc) and transition metal carbide- and carbon nitride-based MXenes We then discuss the doping and functionalization of 2

Van der Waals heterostructures and devices

Abstract: Two-dimensional layered materials (2DLMs) have been a central focus of materials research since the discovery of graphene just over a decade ago. Each layer in 2DLMs consists of a covalently bonded, dangling-bond-free lattice and is weakly bound to neighbouring layers by van der Waals interactions. This makes it feasible to isolate, mix and match highly disparate atomic layers to create a wide range of van der Waals heterostructures (vdWHs) without the constraints of lattice matching and processing compatibility. Exploiting the novel properties in these vdWHs with diverse layering of metals, semiconductors or insulators, new designs of electronic devices emerge, including tunnelling transistors, barristors and flexible electronics, as well as optoelectronic devices, including photodetectors, photovoltaics and light-emitting devices with unprecedented characteristics or unique functionalities. We review the recent progress and challenges, and offer our perspective on the exploration of 2DLM-based vdWHs for future application in electronics and optoelectronics. With a dangling-bond-free surface, two dimensional layered materials (2DLMs) can enable the creation of diverse van der Waals heterostructures (vdWHs) without the conventional constraint of lattice matching or process compatibility. This Review discusses the recent advances in exploring 2DLM vdWHs for future electronics and optoelectronics.