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Register a new userDefect-induced conductivity anisotropy in MoS2 monolayers
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Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Greens Function approach. Intrinsic defects in MoS2 monolayers significantly affect their electronic properties. Even at low concentration they considerably alter the quantum conductance. While the electron transport is practically isotropic in pristine MoS2, strong anisotropy is observed in the presence of defects. Localized mid-gap states are observed in semiconducting MoS2 that do not contribute to the conductivity but direction-dependent scatter the current, and that the conductivity is strongly reduced across line defects and selected grain boundary models.
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The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial strain even induces an semiconductor-metal transition. Providing strain through mechanical contacts is difficult for TMD monolayers, but state-of-the-art for TMD nanotubes. We show using density-functional theory that similar electromechanical properties as in monolayer and bulk TMDs are found for large diameter TMD single- (SWNT) and multi-walled nanotubes (MWNTs). The semiconductor-metal transition occurs at elongations of 16 %. We show that Raman spectroscopy is an excellent tool to determine the strain of the nanotubes and hence monitor the progress of that nanoelectromechanical experiment in situ. TMD MWNTs show twice the electric conductance compared to SWNTs, and each wall of the MWNTs contributes to the conductance proportional to its diameter.
We report a technique for transferring large areas of the CVD-grown, few-layer MoS2 from the original substrate to another arbitrary substrate and onto holey substrates, in order to obtain free-standing structures. The method consists of a polymer- and residue-free, surface-tension-assisted wet transfer, in which we take advantage of the hydrophobic properties of the MoS2. The methods yields better quality transferred layers, with fewer cracks and defects, and less contamination than the widely used PMMA-mediated transfer and allows fabrication of few-layer, fee-standing structures with diameters up to 100 micro-m. We report thermal conductivity measurements by means of contactless Raman thermometry on the so-fabricated samples. The measurements revealed a strong reduction in the in-plane thermal conductivity down to 0.5 W/mK. The results are explained using finite elements method simulations for a polycrystalline film.
We report polarization resolved photoluminescence from monolayer MoS2, a two-dimensional, non-centrosymmetric crystal with direct energy gaps at two different valleys in momentum space. The inherent chiral optical selectivity allows exciting one of these valleys and close to 90% polarized emission at 4K is observed with 40% polarization remaining at 300K. The high polarization degree of the emission remains unchanged in transverse magnetic fields up to 9T indicating robust, selective valley excitation.
Electronic and topological properties of MoS2 monolayers endowed with 3d transition metal (TM) adatoms (V-Fe) are explored by using ab initio methods and k.p models. Without the consideration of the Hubbard U interaction, the V, Cr, and Fe adatoms tend to locate on the top of the Mo atoms, while the most stable site for the Mn atom is at the hollow position of the Mo-S hexagon. After the Hubbard U is applied, the most stable sites of all the systems become the top of the Mo atoms. Chern insulators without band inversion are achieved in these systems. The V and Fe adsorption systems are the best candidates to produce the topological states. The k.p model calculations indicate that these topological states are determined by the TM magnetism, the C3v crystal field from the MoS2 substrate, and the TM atomic spin-orbit coupling (SOC). The special two-meron pseudospin texture is found to contribute to the topology. The apparent difference between the Berry curvatures for the V and Fe adsorption systems are also explored. Our results widen the understanding to the Chern insulators and are helpful for the applications of the MoS2 monolayers in the future electronics and spintronics.
Transition metal dichalcogenides (TMD) possess novel properties which makes them potential candidates for various spintronic applications. Heterostructures of TMD with magnetic thin film have been extensively considered for spin-orbital torque, enhancement of perpendicular magnetic anisotropy etc. However, the effect of TMD on magnetic anisotropy in heterostructures of in-plane magnetization has not been studied so far. Further the effect of the TMD on the domain structure and magnetization reversal of the ferromagnetic system is another important aspect to be understood. In this context we study the effect of MoS2, a well-studied TMD material, on magnetic properties of CoFeB in MoS2/CoFeB heterostructures. The reference CoFeB film possess a weak in-plane anisotropy. However, when the CoFeB is deposited on MoS2 the in-plane anisotropy is enhanced as observed from magneto optic Kerr effect (MOKE) microscopy as well as ferromagnetic resonance (FMR). Magnetic domain structure and magnetization reversal have also been significantly modified for the MoS2/CoFeB bilayer as compared to the reference CoFeB layer. Frequency and angle dependent FMR measurement show that the magnetic anisotropy of CoFeB increases with increase in thickness of MoS2 in the MoS2/CoFeB heterostructures.
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