Growth, Characterization, Vortex Pinning and Vortex Flow Properties of Single Crystals of Iron Chalcogenide Superconductor FeCr0.02_{0.02}Se

We report the growth and characterization of single crystals of iron chalcogenide superconductor FeCr$_{0.02}$Se. There is an enhancement of the superconducting transition temperature (T$_{\rm c}$) as compared to the T$_{\rm c}$ of the single crystals of the parent compound Fe$_{1+x}$Se by about 25%. The superconducting parameters such as the critical fields, coherence length, penetration depth and the Ginzburg-Landau parameter have been estimated for these single crystals. Analysis of the critical current data suggests a fluctuation in electronic mean free path induced ($\delta l$) pinning mechanism in this material. Thermally activated transport across the superconducting transition in the presence of external magnetic fields suggests a crossover from a single vortex pinning regime at low fields to a collective flux creep regime at higher magnetic fields. The nature of charge carriers in the normal state estimated from the Hall effect and thermal transport measurements could provide crucial information on the mechanism of superconductivity in Fe-based materials.Comment: 2 additional figures, additional discussion on nature of charge carrier

Tunnelling Characteristics of Stone-Wales Defects in Monolayers of Sn and Group-V Elements

Topological defects in ultrathin layers are often formed during synthesis and processing, thereby, strongly influencing their electronic properties . In this paper, we investigate the role of Stone-Wales (SW) defects in modifying the electronic properties of the monolayers of Sn and group-V elements. The calculated results find the electronic properties of stanene (monolayer of Sn atoms) to be strongly dependent on the concentration of SW-defects e.g., defective stanene has nearly zero band gap (~ 0.03 eV) for the defect concentration of 2.2 x 10^13 cm^-2 which opens up to 0.2 eV for the defect concentration of 3.7 x 10^13 cm^-2. In contrast, SW-defects appear to induce conduction states in the semiconducting monolayers of group-V elements. These conduction states act as channels for electron tunnelling, and the calculated tunnelling characteristics show the highest differential conductance for the negative bias with the asymmetric current-voltage characteristics. On the other hand, the highest differential conductance was found for the positive bias in stanene. Simulated STM topographical images of stanene and group-V monolayers show distinctly different features in terms of their cross-sectional views and distance-height profiles which can serve as fingerprints to identify the topological defects in the monolayers of group-IV and group-V elements in experiments.Comment: 18 pages, 5 figures, 1 tabl

Two Dimensional Allotropes of Arsenene with Wide Range of High and Anisotropic Carrier Mobility

Considering the rapid development of experimental techniques for fabricating 2D materials in recent years, various monolayers are expected to be experimentally realized in the near future. Motivated by the recent research activities focused on the honeycomb arsenene monolayers, stability and carrier mobility of non-honeycomb and porous allotropic arsenene are determined using first principles calculations. In addition to five honeycomb structures of arsenene, a total of eight other structures are considered in this study. An extensive analysis comprising energetics, phonon spectra and mechanical properties confirms that these structures are energetically and dynamically stable. All these structures are semiconductors with a broad range of band gap varying from ~1 eV to ~2.5 eV. Significantly, these monolayer allotropes possess anisotropic carrier mobilities as high as several hundred cm^{2}V^{-1}s^{-1} which is comparable with the well-known 2D materials such as black phosphorene and monolayer MoS_{2}. Combining such broad band gaps and superior carrier mobilities, these monolayer allotropes can be promising candidates for the superior performance of the next generation nanoscale devices. We further explore these monolayer allotropes for photocatalytic water splitting and find that arsenene monolayers have potential for usage as visible light driven photocatalytic water splitting.Comment: 31 pages, 8 figures, 3 table

In-silico designing of an inhibitor against mTOR FRB domain: Therapeutic implications against breast cancer

Worldwide breast cancer causes significant fatalities in women. The effective therapeutic solution for treating the disease is using new and probable antagonistic biologically available ligands as anticancer drugs. To identify a successful therapeutic approach, the scientific community is now interested in creating novel ligands that in the future may be used as anticancer drugs. The mechanistic target of rapamycin (mTOR) is a protein kinase connected to several processes governing immunity, metabolism, cell development, and survival. The proliferation and metastasis of tumors have both been linked to the activation of the mTOR pathway. Female breast cancer represents about 15.3% of all new cancer cases in the U.S. alone and is frequently diagnosed among women aged 55 to 69 years. Given that the P13K/AKT/mTOR pathway is one of the most often activated in cancer, much attention has been paid to its resistance as a novel oncological treatment approach. mTOR/FRB Domain’s recruitment cleft as, well as substrate recruitment mechanism, was targeted using a structural-based approach. A series of selective inhibitory small molecules have been designed and screened for the best inhibiting target binding triad of the FRB Domain with better ADME and no detectable toxic effects

Macroscopic chirality of twist-bend nematic phase in bent dimers confirmed by circular dichroism

Many achiral bent molecules and some polymers with such repeat units exhibit a liquid crystal phase transition between a conventional nematic (N), and a second nematic (Nx) with periodically modulated orientation. Theory predicts several possible structures for the Nx phase, some of which are chiral (helical), and others achiral (e.g. zigzag). Experimentally distinguishing which modulation type is present is non-trivial and the structure is often assumed to be helical despite the other possibilities. Here we use circular dichroism (CD) spectroscopy to directly and unambiguously identify chirality in the Nx phase of two different dimer series, “DTC5Cn” and “CBCnCB”, which vary in (CH2)n spacer length (n=5, 7, 9). In doing so we have determined that the modulation type is helical in all samples. The temperature dependence of the CD signal was also investigated, suggesting that the helical structure progressively unwinds on approach to the high temperature N phas

Low-frequency dielectric processes in deformed helix ferroelectric liquid crystals

A low-frequency dielectric relaxation mode in deformed helix ferroelectric liquid crystal (DHFLC) has been observed at the interface of strongly rubbed substrates and DHFLC material which may find applications in low power consumption FLC devices. The surface-induced dielectric relaxation process at the interface of DHFLC and substrate is called the partially unwound helical mode (p-UHM) due to the unwinding of the helical structure at this interface. After investigation of the material under various parameters such as temperature, variation of the amplitude of probing ac voltage and dc bias voltage, the relaxation frequency of p-UHM is found to be shifted towards Goldstone mode and merged with it. The relaxation frequency of Goldstone mode is found to decrease, whereas the relaxation frequency of p-UHM process increases with the increase in temperature of DHFLC. Finally, both the modes merge and the resultant relaxation frequency is found to be lower than Goldstone mode in SmC* phase. It seems that phason mode and partial helical unwinding mode are coupled together due to dipole moment that is resulting in a new relaxation frequency. p-UHM process is significant for low-power displays and non-displays applications like a part of sensor where weak electric signal is required to be realized without pre-amplification

Magnetization hysteresis and time decay measurements in FeSe0.50_{0.50}Te0.50_{0.50} : Evidence for fluctuation in mean free path induced pinning

We present results of magnetic measurements relating to vortex phase diagram in a single crystal of FeSe$_{0.5}$Te$_{0.5}$ which displays second magnetization peak anomaly for $H \parallel c$. The possible role of the crystalline anisotropy on vortex pinning is explored via magnetic torque magnetometry. We present evidence in favor of pinning related to spatial variations of the charge carrier mean free path leading to small bundle vortex pinning by randomly distributed (weak) pinning centers for both $H \parallel c$ and $H \perp c$. This is further corroborated using magnetization data for $H \parallel c$ in a single crystal of FeSe$_{0.35}$Te$_{0.65}$. Dynamical response across second magnetization peak (SMP) anomaly in FeSe$_{0.5}$Te$_{0.5}$ has been compared with that across the well researched phenomenon of peak effect (PE) in a single crystal of CeRu$_2$.Comment: 11 figures, provided additional data in another sample, added Fig.