From semiconductor to metal: A reversible tuning of electronic properties of mono to multilayered SnS$_\mathrm{2}$ under applied strain

Controlled variation of the electronic properties of 2D materials by applying strain has emerged as a promising way to design materials for customized applications. Using first principles density functional theory calculations, we show that while the electronic structure and indirect band gap of SnS$_\mathrm{2}$ do not change significantly with the number of layers, they can be reversibly tuned by applying biaxial tensile (BT), biaxial compressive (BC), and normal compressive (NC) strains. Mono to multilayered SnS$_\mathrm{2}$ exhibit a reversible semiconductor to metal transition (S-M) at strain values of 0.17, $-$0.26, and $-$0.24 under BT, BC, and NC strains, respectively. Due to weaker interlayer coupling, the critical strain value required to achieve S-M transition in SnS$_\text{2}$ under NC strain is much higher than for MoS$_\mathrm{2}$. The S-M transition for BT, BC, and NC strains is caused by the interaction between the S-$p_z$ and Sn-$s$, S-$p_x$/$p_y$ and Sn-$s$, and S-$p_z$ and Sn-$s$ orbitals, respectively.


Similar Publications

Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals. Interest in such materials is driven by the study of low dimensional physics and the design of functional heterostructures. Binary compounds with the compositions MX2 and MX3 where M is a metal cation and X is a halogen anion often form such structures. Read More


The extent to which time-dependent fracture criteria affect the dynamic behavior of fracture in a discrete structure is discussed in this work. The simplest case of a semi-infinite isotropic chain of oscillators has been studied. Two history-dependent criteria are compared to the classical one of threshold elongation for linear bonds. Read More


Although molecular dynamics (MD) are commonly used to predict the structure and properties of glasses, they are intrinsically limited to high cooling rates. Our lack of knowledge regarding the effects of the cooling rate on glasses' properties therefore render challenging meaningful comparisons between simulated and experimental results. Here, based on MD simulations of a sodium silicate glass with varying cooling rates, we show that the thermal history mostly affects the medium-range order structure, while leaving the short-range order largely unaffected. Read More


There has been renewed interest in the use of magnetic nanoparticles to convert high frequency electromagnetic energy into heat. During the last decade, numerous examples in the field of catalysis, lightweight thermoplastic composites for aeronautical and automotive engineering, and biomedical applications as well, have flourished. In a recent Letter "Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring", Moon et al. Read More


In this paper the critical currents as well as the thermal stability of skyrmion racetrack like structures is investigated. It is reported that the pinning sites which are required in order to allow for thermally stable bits significantly increases the critical current densities to about $j_{crit}$ = 0.62 TA/m$^2$ to move the bits in skyrmion like structures. Read More


We calculate the effect of a static electric field on the critical temperature of a s-wave one band superconductor in the framework of proximity effect Eliashberg theory. In the weak electrostatic field limit the theory has no free parameters while, in general, the only free parameter is the thickness of the surface layer where the electric field acts. We conclude that the best situation for increasing the critical temperature is to have a very thin film of a superconducting material with a strong increase of electron-phonon (boson) constant upon charging. Read More


We investigated the anisotropic magnetic properties of CePd$_2$As$_2$ by magnetic, thermal and electrical transport studies. X-ray diffraction confirmed the tetragonal ThCr$_2$Si$_2$-type structure and the high-quality of the single crystals. Magnetisation and magnetic susceptibility data taken along the different crystallographic directions evidence a huge crystalline electric field (CEF) induced Ising-type magneto-crystalline anisotropy with a large $c$-axis moment and a small in-plane moment at low temperature. Read More


We investigate the growth of the graphene buffer layer and the involved step bunching behavior of the SiC surface by means of atomic force microscopy on substrates with different starting properties. We show that the formation of large terraces with high step edges is closely linked to the formation of local buffer layer domains in very good agreement with the predictions of a two-dimensional model of step dynamics. The key to suppress step bunching is the homogenous nucleation of evenly distributed buffer layer domains on the terraces which limits surface diffusion and stabilizes the SiC surface. Read More


Absorption of ultrashort laser pulses in a metallic grating deposited on a transparent sample launches coherent compression/dilatation acoustic pulses in directions of different orders of acoustic diffraction. Their propagation is detected by the delayed laser pulses, which are also diffracted by the metallic grating, through the measurement of the transient intensity change of the first order diffracted light. The obtained data contain multiple frequency components which are interpreted by considering all possible angles for the Brillouin scattering of light achieved through the multiplexing of the propagation directions of light and coherent sound by the metallic grating. Read More


Recent observations have shown that at a certain composition of solid solutions AgCl$_x$Br$_{1-x}$, AgCl-CdCl$_2$, AgBr-CdBr$_2$, of ionic crystals, the electrical conductivity exhibits a value appreciably larger than that of the end constituents. Here, we investigate the electrical conductivity $\sigma$ of LiH$_x$D$_{1-x}$ solid solutions -which are of prominent importance in fuel hydrogen storage applications- and find that in the whole composition range no maximum is likely to occur in the $\sigma$ versus x dependence. Read More