In this study Mo-doped VO2 thin films have successfully been grown on SiO2-coated float glass by reactive DC magnetron sputtering. Structural analyses, carried out at room temperature, revealed single-phase monoclinic VO2 with preferred crystal orientation in the (002) direction, regardless the Mo doping concentration. The surface morphology of the films revealed elongated grains dispersed randomly with decreasing sizes for higher Mo doping concentrations. The measured roughness parameters showed an opposite tendency, i.e., increased for higher Mo doping contents. The optical analyses showed films with maximum optical transparencies in the visible range from 35 to 45% and decreased IR modulation capacity from 36 to 25% with increasing Mo content from 3 to 11%. The Mo dopant concentration in the film was found to have a linear influence on the phase transition temperatures, showing a decrease of about 3 degrees C per at% of Mo. Phase transition temperatures as low as 32 degrees C were obtained.
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http://dx.doi.org/10.1166/jnn.2010.1873 | DOI Listing |
Phys Chem Chem Phys
January 2025
Shandong Key Laboratory of Medical Physics and Image Processing & Shandong Provincial Engineering and Technical Center of Light Manipulations, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China.
Modulating the electronic properties of VSiN with high Curie temperature to realize an ideal half-metal is appealing towards spintronic applications. Here, by using first-principles calculations, we propose alloying the VSiN monolayer via substitutive doping of transition metal atoms (Sc-Ni, Y-Mo) at the V site. We find that the transition metal atom (except the Ni atom) doped VSiN systems have dynamical and thermal stability.
View Article and Find Full Text PDFNano Lett
January 2025
Department of Engineering Mechanics, Zhejiang University, Hangzhou, 310027 Zhejiang, China.
Chiral vortices and their phase transition in ferroelectric/dielectric heterostructures have drawn significant attention in the field of condensed matter. However, the dynamical origin of the chiral phase transition from achiral to chiral polar vortices has remained elusive. Here, we develop a phase-field perturbation model and discover the softening of out-of-plane vibration mode of polar vortices in [(PbTiO)/(SrTiO)] superlattices at a critical epitaxial strain or temperature.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Center for High Pressure Science & Technology Advanced Research (HPSTAR), Shanghai, 201203, P.R. China.
Under extreme conditions, condensed matters are subject to undergo a phase transition and there have been many attempts to find another form of hydroxide stabilized over HO. Here, using Density Functional Theory (DFT)-based crystal structure prediction including zero-point energy, it is that proton superoxide (HO), the lightest superoxide, can be stabilized energetically at high pressure and temperature conditions. HO is metallic at high pressure, which originates from the 𝜋 orbitals overlap between adjacent superoxide anions (O ).
View Article and Find Full Text PDFACS Nano
January 2025
Department of Physics and Astronomy, University of Manitoba, Winnipeg R3T 2N2, Canada.
Theory and simulations are used to demonstrate implementation of a variational Bayes algorithm called "active inference" in interacting arrays of nanomagnetic elements. The algorithm requires stochastic elements, and a simplified model based on a magnetic artificial spin ice geometry is used to illustrate how nanomagnets can generate the required random dynamics. Examples of tracking and PID control are demonstrated and shown to be consistent with the original stochastic differential equation formulation of active inference.
View Article and Find Full Text PDFPLoS Comput Biol
January 2025
Department of Physical-Chemistry, Complutense University of Madrid, Madrid, Spain.
Intracellular liquid-liquid phase separation (LLPS) of proteins and nucleic acids is a fundamental mechanism by which cells compartmentalize their components and perform essential biological functions. Molecular simulations play a crucial role in providing microscopic insights into the physicochemical processes driving this phenomenon. In this study, we systematically compare six state-of-the-art sequence-dependent residue-resolution models to evaluate their performance in reproducing the phase behaviour and material properties of condensates formed by seven variants of the low-complexity domain (LCD) of the hnRNPA1 protein (A1-LCD)-a protein implicated in the pathological liquid-to-solid transition of stress granules.
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