Structural phase transition and material properties of few-layer monochalcogenides

GeSe and SnSe monochalcogenide monolayers and bilayers undergo a two-dimensional phase transition from a rectangular unit cell to a square unit cell at a temperature $T_c$ well below the melting point. Its consequences on material properties are studied within the framework of Car-Parrinello molecular dynamics and density-functional theory. No in-gap states develop as the structural transition takes place, so that these phase-change materials remain semiconducting below and above $T_c$. As the in-plane lattice transforms from a rectangle onto a square at $T_c$, the electronic, spin, optical, and piezo-electric properties dramatically depart from earlier predictions. Indeed, the $Y-$ and $X-$points in the Brillouin zone become effectively equivalent at $T_c$, leading to a symmetric electronic structure. The spin polarization at the conduction valley edge vanishes, and the hole conductivity must display an anomalous thermal increase at $T_c$. The linear optical absorption band edge must change its polarization as well, making this structural and electronic evolution verifiable by optical means. Much excitement has been drawn by theoretical predictions of giant piezo-electricity and ferroelectricity in these materials, and we estimate a pyroelectric response of about $3\times 10^{-12}$ $C/K m$ here. These results uncover the fundamental role of temperature as a control knob for the physical properties of few-layer group-IV monochalcogenidesComment: Supplementary information included. Published versio

Ultra-tuning of nonlinear drumhead MEMS resonators by electro-thermoelastic buckling

Nonlinear micro-electro-mechanical systems (MEMS) resonators open new opportunities in sensing and signal manipulation compared to their linear counterparts by enabling frequency tuning and increased bandwidth. Here, we design, fabricate and study drumhead resonators exhibiting strongly nonlinear dynamics and develop a reduced order model (ROM) to capture their response accurately. The resonators undergo electrostatically-mediated thermoelastic buckling which tunes their natural frequency from 4.7 to 11.3 MHz, a factor of 2.4x tunability. Moreover, the imposed buckling switches the nonlinearity of the resonators between purely stiffening, purely softening, and even softening-to-stiffening. Accessing these exotic dynamics requires precise control of the temperature and the DC electrostatic forces near the resonator's critical-buckling point. To explain the observed tunability, we develop a one-dimensional physics-based ROM that predicts the linear and nonlinear response of the fundamental bending mode of these drumhead resonators. The ROM captures the dynamic effects of the internal stresses resulting from three sources: The residual stresses from the fabrication process, the mismatch in thermal expansion between the constituent layers, and lastly, the applied electrostatic forces. The ROM replicates the observed tunability of linear (within 5.5% error) and nonlinear responses even near the states of critical buckling. These remarkable nonlinear and large tunability of the natural frequency are valuable features for on-chip acoustic devices in broad applications such as signal manipulation, filtering, and MEMS waveguides

Heterostructures based on inorganic and organic van der Waals systems

The two-dimensional limit of layered materials has recently been realized through the use of van der Waals (vdW) heterostructures composed of weakly interacting layers. In this paper, we describe two different classes of vdW heterostructures: inorganic vdW heterostructures prepared by co-lamination and restacking; and organicinorganic hetero-epitaxy created by physical vapor deposition of organic molecule crystals on an inorganic vdW substrate. Both types of heterostructures exhibit atomically clean vdW interfaces. Employing such vdW heterostructures, we have demonstrated various novel devices, including graphene/hexagonal boron nitride (hBN) and MoS2 heterostructures for memory devices; graphene/MoS2/WSe2/graphene vertical p-n junctions for photovoltaic devices, and organic crystals on hBN with graphene electrodes for high-performance transistorsPhysic

Graphene growth on h-BN by Molecular Beam Epitaxy

The growth of single layer graphene nanometer size domains by solid carbon source molecular beam epitaxy on hexagonal boron nitride (h-BN) flakes is demonstrated. Formation of single-layer graphene is clearly apparent in Raman spectra which display sharp optical phonon bands. Atomic-force microscope images and Raman maps reveal that the graphene grown depends on the surface morphology of the h-BN substrates. The growth is governed by the high mobility of the carbon atoms on the h-BN surface, in a manner that is consistent with van der Waals epitaxy. The successful growth of graphene layers depends on the substrate temperature, but is independent of the incident flux of carbon atoms.Comment: Solid State Communications, 201

Atomically thin p–n junctions with van der Waals heterointerfaces

Semiconductor p–n junctions are essential building blocks for electronic and optoelectronic devices. In conventional p–n junctions, regions depleted of free charge carriers form on either side of the junction, generating built-in potentials associated with uncompensated dopant atoms. Carrier transport across the junction occurs by diffusion and drift processes influenced by the spatial extent of this depletion region. With the advent of atomically thin van der Waals materials and their heterostructures, it is now possible to realize a p–n junction at the ultimate thickness limit3, 4, 5, 6, 7, 8, 9, 10. Van der Waals junctions composed of p- and n-type semiconductors—each just one unit cell thick—are predicted to exhibit completely different charge transport characteristics than bulk heterojunctions10, 11, 12. Here, we report the characterization of the electronic and optoelectronic properties of atomically thin p–n heterojunctions fabricated using van der Waals assembly of transition-metal dichalcogenides. We observe gate-tunable diode-like current rectification and a photovoltaic response across the p–n interface. We find that the tunnelling-assisted interlayer recombination of the majority carriers is responsible for the tunability of the electronic and optoelectronic processes. Sandwiching an atomic p–n junction between graphene layers enhances the collection of the photoexcited carriers. The atomically scaled van der Waals p–n heterostructures presented here constitute the ultimate functional unit for nanoscale electronic and optoelectronic devices.Physic