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The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

Molecular dynamics simulations are utilized to study the microwave heating of methane hydrate by the five-body rotation coordinate system with the TIP5P-Ewald model. The structure I of methane hydrate is constructed, and the ice and free…

Chemical Physics · Physics 2024-03-01 Motohiko Tanaka

The effect of high-energy electron irradiation on the temperature dependences of the resistivity $\rho(T)$, fluctuation conductivity (FLC), and pseudogap (PG) $\Delta^{*}(T)$ of YBa$_2$Cu$_3$O$_7$--$\delta$ (YBCO) single crystals without…

Superconductivity · Physics 2025-12-11 A. L. Solovjov , K. Rogacki , N. V. Shytov , E. V. Petrenko , L. V. Bludova , A. Chroneos , R. V. Vovk

Half-Heusler phases have gained recently much interest as thermoelectric materials. Screening of possible systems was performed by ab-initio simulation using VASP-software. The energy-versus-Volume (E(V)) curves were calculated and…

Materials Science · Physics 2009-02-21 Wilfried Wunderlich , Yuichiro Motoyama

Highly-strained BiFeO3 exhibits a "tetragonal-like, monoclinic" crystal structure found only in epitaxial films (with an out-of-plane lattice parameter exceeding the in-plane value by >20%). Previous work has shown that this phase is…

Materials Science · Physics 2011-08-17 Wolter Siemons , Michael D. Biegalski , Joong Hee Nam , Hans M. Christen

The high energy density of electronic excitations due to the impact of swift heavy ions can induce structural modifications in materials. We present a X-ray diffractometer called ALIX, which has been set up at the low-energy IRRSUD beamline…

This study examines the phase transitions occurring during linear heating of the Zr15Nb alloy through a comprehensive, multi-technique methodology comprising in-situ high-energy synchrotron X-ray diffraction (HEXRD), electrical resistance…

Structural, vibrational and dielectric properties of (Pb1-xBix)(Ti1-xMnx)O3 (PBTM) (0 x 0.50) polycrystalline ceramics have been examined as a function of temperature. Synchrotron-based powder x-ray diffraction was employed to confirm phase…

We show that reflection high-energy electron diffraction (RHEED) can be used as a highly sensitive tool to track surface and resulting film stoichiometry in adsorption-limited molecular beam epitaxy of (001) SrTiO3 thin films. Even under…

Materials Science · Physics 2015-03-17 Adam P. Kajdos , Susanne Stemmer

Recent years have witnessed considerable work on the development of lead-free piezoelectric ceramic materials and their structure-property correlations. The development of piezo response is a strong function of phase evolution in these…

Materials Science · Physics 2022-01-03 Kumar Brajesh , Sudhir Ranjan , Ashish Garg

In this work, the effects of finite size on the determination of the three-phase coexistence temperature ($T_3$) of carbon dioxide (CO$_2$) hydrate have been studied by molecular dynamic simulations and using the direct coexistence…

Soft Condensed Matter · Physics 2024-08-06 J. Algaba , S. Blazquez , E. Feria , J. M. Míguez , M. M. Conde , F. J. Blas

The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil cell to 11.5 GPa coupled with first-principles theory. Si2Te3…

Materials Science · Physics 2024-10-10 Bohan Li , Frank Cerasoli , Ethan Chen , Martin Kunz , Davide Donadio , Kristie J. Koski

The enhancement of Er$^{3+}$-based up-conversion for photovoltaics in multilayer porous silicon photonic structures is considered theoretically and experimentally. Transfer matrix simulations are used to assess the increased photonic…

Optics · Physics 2012-09-06 Craig M. Johnson , Peter J. Reece , Gavin J. Conibeer

The article comprises structural, microstructural, and physical properties analysis of Bi2Se3-xTex (x= 0, 1, 2 and 3) mixed topological insulator (MTI) single crystals. All the crystals were grown through a well-optimized solid-state…

Materials Science · Physics 2020-12-02 Deepak Sharma , Yogesh Kumar , P. Kumar , Vipin Nagpal , S. Patnaik , V. P. S. Awana

A single crystal of isovalently substituted Ba(Fe$_{1-x}$Ru$_{x}$)$_2$As$_2$ ($x=0.24$) was sequentially irradiated with 2.5 MeV electrons up to a maximum dose of $2.1 \times 10^{19}$ electrons/cm^2. The electrical resistivity was measured…

In the present study, structural changes due to gradual doping of Sr in BaTiO3 were investigated by both x-ray and neutron powder diffraction techniques. Ba1-xSrxTiO3 (x=0.0, 0.5 and 1.0) samples were synthesized by PVA evaporation method…

Materials Science · Physics 2020-07-03 I. B. Elius , B. M. Asif , J. Maudood , T. K. Datta , A. K. M. Zakaria , S. Hossain , M. S. Aktar , I. Kamal

Temperature dependent single-crystal x-ray diffraction (XRD) in transmission mode probing the bulk of the newly discovered K0.8Fe1.6Se2 superconductor (Tc = 31.8 K) using synchrotron radiation is reported. A clear evidence of intrinsic…

Energetic ion irradiation usually decreases superconducting critical temperature(Tc), with the few exceptions involving increases up to a few K only. However, our recent 2.5X10^15 Ar/cm2 irradiations by 1.5 MeV Ar6+ enhanced Tc of the…

Superconductivity · Physics 2022-04-08 Kriti R Sahu , Thomas Wolf , A K Mishra , A Banerjee , V Ganesan , Udayan De

The structural phase transformations of 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-30%PT) have been studied using x-ray diffraction (XRD) and neutron scattering as a function of temperature and electric field. We observe the phase transformational…

Materials Science · Physics 2009-11-10 Feiming Bai , Naigang Wang , Jiefang Li , D. Viehland , P. M. Gehring , Guangyong Xu , G. Shirane

Phase-change materials serve a broad field of applications ranging from non-volatile electronic memory to optical data storage by providing reversible, repeatable, and rapid switching between amorphous and crystalline states accompanied by…

Materials Science · Physics 2021-09-10 Martin Hafermann , Robin Schock , Chenghao Wan , Jura Rensberg , Mikhail A. Kats , Carsten Ronning