Domain Dynamics in Piezoresponse Force Microscopy: Quantitative Deconvolution and Hysteresis Loop Fine Structure

Domain dynamics in the Piezoresponse Force Spectroscopy (PFS) experiment is studied using the combination of local hysteresis loop acquisition with simultaneous domain imaging. The analytical theory for PFS signal from domain of arbitrary cross-section is developed and used for the analysis of experimental data on Pb(Zr,Ti)O3 polycrystalline films. The results suggest formation of oblate domain at early stage of the domain nucleation and growth, consistent with efficient screening of depolarization field within the material. The fine structure of the hysteresis loop is shown to be related to the observed jumps in the domain geometry during domain wall propagation (nanoscale Barkhausen jumps), indicative of strong domain-defect interactions.Comment: 17 pages, 3 figures, 2 Appendices, to be submmited to Appl. Phys. Let

Tuning the Electronic and Magnetic Properties of Double Transition Metal MCrCT2_2 (M = Ti, Mo) Janus MXenes for Enhanced Spintronics and Nanoelectronics

Janus MXenes, a new category of two-dimensional (2D) materials, shows promising potential for advances in optoelectronics, spintronics and nanoelectronics. Our theoretical investigations not only provide interesting insights but also highlight the promise of Janus MCrCT$_2$ (M = Ti, Mo; T = O, F, OH) MXenes for future spintronic applications and highlight the need for their synthesis. Electronic structure analysis shows different metallic and semi-metallic properties: MoCrCF$_2$ exhibits metallic properties, TiCrC(OH)$_2$ and MoCrCO$_2$ exhibit near semi-metallicity with spin polarization values of 61\% and 86\%, respectively, while TiCrCO$_2$ and TiCrCF$_2$ are completely half-metallic with 100\% spin polarization at the Fermi level. All studied Janus MXenes exhibit intrinsic ferromagnetism, which is mainly attributed to the chromium (Cr) atoms, as shown by the spin density difference plots. Among them, the TiCrCO$_2$ monolayer stands out with the highest exchange constant and ferromagnetic transition temperature (T$_c$). Notably, the O-terminated Janus MXenes exhibit weak perpendicular magnetic anisotropy, in contrast to the in-plane anisotropy observed for F and OH-terminated MXenes, making them particularly interesting for future spintronic applications which we further demonstrate with micromagnetic simulation which reveal distinct current-induced switching behaviors in these Janus MXenes with different surface terminations

Straintronics using the monolayer-Xene platform -- a comparative study

Monolayer silicene is a front runner in the 2D-Xene family, which also comprises germanene, stanene, and phosphorene, to name a few, due to its compatibility with current silicon fabrication technology. Here, we investigate the utility of 2D-Xenes for straintronics using the ab-initio density functional theory coupled with quantum transport based on the Landauer formalism. With a rigorous band structure analysis, we show the effect of strain on the K-point, and calculate the directional piezoresistances for the buckled Xenes as per their critical strain limit. Further, we compare the relevant gauge factors, and their sinusoidal dependences on the transport angle akin to silicene and graphene. The strain-insensitive transport angles corresponding to the zero gauge factors are 81 degree and 34 degree for armchair and zigzag strains, respectively, for silicene and germanene. For stanene as the strain limit is extended to 10% and notable changes in the fundamental parameters, the critical angle for stanene along armchair and zigzag directions are 69 degree and 34 degree respectively. The small values of gauge factors are attributed to their stable Dirac cones and strain-independent valley degeneracies. We also explore conductance modulation, which is quantized in nature and exhibits a similar pattern with other transport parameters against a change in strain. Based on the obtained results, we propose the buckled Xenes as an interconnect in flexible electronics and are promising candidates for various applications in straintronics.Comment: 16 pages, 9 figure

Electrical and magneto transport in 2D semiconducting MXene Ti2CO2

The Hall scattering factor is formulated using Rode's iterative approach to solving the Boltzmann transport equation in such a way that it may be easily computed within the scope of ab-inito calculations. Using this method in conjunction with density functional theory based calculations, we demonstrate that the Hall scattering factor in electron-doped Ti2CO2 varies greatly with temperature and concentration, ranging from 0.2 to around 1.3 for weak magnetic fields. The electrical transport was modelled primarily using three scattering mechanisms: piezoelectric scattering, acoustic scattering, and polar optical phonons. Even though the mobility in this material is primarily limited by acoustic phonons, piezoelectric scattering also plays an important role which was not highlighted earlier

Characterization of Vacuolating cytotoxin A binding to sphingomyelin in Helicobacter pylori pathogenesis

The main objective of my research project is to characterize vacuolating cytotoxin A (VacA) from Helicobacter pylori binding to an important host cell membrane lipid, sphingomyelin (SM). Previously, our laboratory showed that plasma membrane SM is important for the toxin biological activity, cell surface binding, and toxin-receptor direct interactions suggesting that SM is a receptor for VacA. Moreover, recent findings from our laboratory showed that R552, W603, and R647 of VacA are important that when changed to alanine, resulting in decreased SM-dependent VacA activity in gastric epithelial cells. However, the molecular basis of SM-VacA interactions remains unknown. My research focuses molecular on the detailed molecular mechanism by which these three residues of VacA interact with SM in SM-dependent toxin cellular activities. I will evaluate the hypothesis that R552, W603, and R647 on VacA facilitate its SM binding by interacting with the phosphorylcholine head group of SM. To test this hypothesis, I will conduct site-directed mutagenesis analysis to evaluate the specific properties of the three residues (R552/W603/R647) that are important for SM-dependent toxin cellular activities. I will evaluate the prediction that VacA interacts with SM through pi-cation interactions between the aromatic ring of tryptophan and choline moiety of head group of SM and ionic interactions between positively charged arginine residues and negatively charged phosphate moiety of SM. Testing this prediction, I am evaluating the toxin cellular activity of charge conservative and non-conservative single substitution mutations in the three residues. The results of this study will provide the framework for the molecular interactions behind VacA-SM interactions.Ope

Identification of ROCK1 kinase as a critical regulator of Beclin1 mediated autophagy during metabolic stress

The Ser/Thr Rho kinase 1 (ROCK1) is known to play major roles in a wide range of cellular activities, including those involved in tumor metastasis and apoptosis. Here we identify an indispensable function of ROCK1 in metabolic stress-induced autophagy. Applying a proteomics approach, we characterize Beclin1, a proximal component of the PI(3)kinase class III lipid-kinase complex that induces autophagy, as an interacting partner of ROCK1. Upon nutrient deprivation, activated ROCK1 promotes autophagy by binding and phosphorylating Beclin1 at Thr119. This results in the specific dissociation of the Beclin1-Bcl-2 complex, without affecting the Beclin1-UVRAG interaction. Conversely, inhibition of ROCK1 activity increases Beclin1-Bcl-2 association, thus reducing nutritional stress-mediated autophagy. Genetic knockout of ROCK1 function in mice also leads to impaired autophagy as evidenced by reduced autophagosome formation. These results show that ROCK1 acts as a prominent upstream regulator of Beclin1-mediated autophagy and maintains a homeostatic balance between apoptosis and autophagy

Iridium-doping as a strategy to realize visible light absorption and p-type behavior in BaTiO3

BaTiO3 is typically a strong n-type material with tuneable optoelectronic properties via doping and controlling the synthesis conditions. It has a wide band gap that can only harness the ultraviolet region of the solar spectrum. Despite significant progress, achieving visible-light absorbing BTO with tuneable carrier concentration has been challenging, a crucial requirement for many applications. In this work, a p-type BTO with visible-light absorption is realized via iridium doping. Detailed analysis using advanced spectroscopy tools and computational electronic structure analysis is used to rationalize the n- to p-type transition after Ir doping. Results offered mechanistic insight into the interplay between the dopant site occupancy, the dopant position within the band gap, and the defect chemistry affecting the carrier concentration. A decrease in the Ti3+ donor levels concentration and the mutually correlated oxygen vacancies upon Ir doping is attributed to the p-type behavior. Due to the formation of Ir3+ or Ir4+ in-gap energy levels within the forbidden region, the optical transition can be elicited from or to such levels resulting in visible-light absorption. This newly developed Ir-doped BTO can be a promising p-type perovskite-oxide with imminent applications in solar fuel generation, spintronics and optoelectronics.Comment: 21 pages, 8 figure