0000000000406705
AUTHOR
Masaki Takata
Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change materialGe2Sb2Te5
Phase change materials involve the rapid and reversible transition between nanoscale amorphous $(a\text{\ensuremath{-}})$ and crystalline $(c\text{\ensuremath{-}})$ spots in a polycrystalline film and play major roles in the multimedia world, including nonvolatile computer memory. The materials of choice are alloys of Ge, Sb, and Te, e.g., ${\text{Ge}}_{2}{\text{Sb}}_{2}{\text{Te}}_{5}$ (GST) in digital versatile disk--random access memory. There has been much speculation about the structure of $a\text{\ensuremath{-}}$ GST, but no model has yet received general acceptance. Here we optimize the structure by combining the results of density-functional calculations with high-energy x-ray diffr…
From local structure to nanosecond recrystallization dynamics in AgInSbTe phase-change materials
Phase-change optical memories are based on the astonishingly rapid nanosecond-scale crystallization of nanosized amorphous 'marks' in a polycrystalline layer. Models of crystallization exist for the commercially used phase-change alloy Ge(2)Sb(2)Te(5) (GST), but not for the equally important class of Sb-Te-based alloys. We have combined X-ray diffraction, extended X-ray absorption fine structure and hard X-ray photoelectron spectroscopy experiments with density functional simulations to determine the crystalline and amorphous structures of Ag(3.5)In(3.8)Sb(75.0)Te(17.7) (AIST) and how they differ from GST. The structure of amorphous (a-) AIST shows a range of atomic ring sizes, whereas a-GS…
Coordination nano-space as stage of hydrogen ortho–para conversion
The ability to design and control properties of nano-sized space in porous coordination polymers (PCPs) would provide us with an ideal stage for fascinating physical and chemical phenomena. We found an interconversion of nuclear-spin isomers for hydrogen molecule H 2 adsorbed in a Hofmann-type PCP, {Fe(pz)[Pd(CN) 4 ]} (pz=pyrazine), by the temperature dependence of Raman spectra. The ortho (o)–para (p) conversion process of H 2 is forbidden for an isolated molecule. The charge density study using synchrotron radiation X-ray diffraction reveals the electric field generated in coordination nano-space. The present results corroborate similar findings observed on different systems and confirm …