Phase transition behaviors of (1-x)Pb(Yb1/2Nb1/2) O-3-xBa(Yb1/2Nb1/2)O-3 ceramics
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We have solved and refined the crystal structure of the orthorhombic gamma-phase of Ca(BD4)(2) by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same qualit ...
Two new isostructural layered oxohalides FeTe3O7X (X = Cl, Br) were synthesized by chemical vapor transport reactions, and their crystal structures and magnetic properties were characterized by single-crystal X-ray diffraction, Raman spectroscopy, magnetic ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
Ferroelectric perovskites exhibit superior dielectric, piezoelectric and ferroelectric properties. Architecting ferroelectrics in the small scale holds interest in both application and fundamental research. Compared to their 2D counterparts – thin films, f ...
Based on ab initio molecular dynamics simulations, we investigate the low-temperature crystal structure of Li2NH which in spite of its great interest as H-storage material is still a matter of debate. The dynamical simulations reveal a precise correlation ...
Atomic ordering and stress-induced ordering (Zener relaxation) were studied in a series of 18-carat (75 wt%) yellow gold alloys (Au-Cu-Ag) by means of isothermal mechanical spectroscopy with a forced torsion pendulum at low frequencies. In the high-tempera ...
A strong Kohn anomaly in ZrTe3 is identified in the mostly transverse acoustic phonon branch along the modulation vector q(P) with polarization along the a(*) direction. This soft mode freezes to zero frequency at the transition temperature T-P, and the te ...
Raman scattering and optical birefringence were used in to investigate a low-temp. phase transition in a single crystal of the 2D Na5RbCu4(AsO4)4Cl2. Phonon anomalies point to a 1st-order nature of the transition. The obsd. transition is most probably rela ...
Phase transitions in micro-, submicro-, and nanocrystalline NaNbO3 were investigated by temperature-tuning Raman spectroscopy and X-ray powder diffraction method. Three powders with different average particle size showed successive phase transitions within ...