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6 papers · 2 filters
Pressure dependence of the monoclinic phase in (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 solid solutions
Muhtar Ahart, Stanislav Sinogeikin, Olga Shebanova +5
We combine high-pressure x-ray diffraction, high-pressure Raman scattering, and optical microscope to investigate a series of PMN-xPT solid solutions (x=0.2, 0.3, 0.33, 0.35, 0.37,…
Bonding, structures, and band gap closure of hydrogen at high pressures
Alexander F. Goncharov, John S. Tse, Hui Wang +4
We have studied dense hydrogen and deuterium experimentally up to 320 GPa and using ab initio molecular dynamic (MD) simulations up to 370 GPa between 250 and 300 K. Raman and opti…
Giant electrocaloric effect around T
Maimon C. Rose, R. E. Cohen
We use molecular dynamics with a first-principles-based shell model potential to study the electrocaloric effect (ECE) in lithium niobate, LiNbO, and find a giant electrocalori…
Pressure-induced phase transitions in AgClO4
D. Errandonea, L. Gracia, A. Beltran +2
AgClO4 has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragona…
Equation of state and Raman-active lattice phonon in phases I, II, and III of solid hydrogen and deuterium
Yu. A. Freiman, Alexei Grechnev, S. M. Tretyak +2
We present results of lattice dynamics calculations of the equation of state and the pressure dependence of the Raman-active lattice phonon for H and D$_…
Pressure-induced amorphization and polyamorphism in one-dimensional single crystal TiO2 nanomaterials
Quanjun Li, Bingbing Liu, Lin Wang +10
The structural phase transitions of single crystal TiO2-B nanoribbons were investigated in-situ at high-pressure using the synchrotron X-ray diffraction and the Raman scattering. O…