Published February 8, 2012 | Version v1
Journal article Metadata-only

Reverse Monte Carlo modeling of Li2S-P2S5 superionic conductors

Creators

  • 1. Research Reactor Institute, Kyoto University, 2-1010 Asashiro-Nishi, Kumatori, Sennan, Osaka 590-0494 (Japan)
  • 2. Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)
  • 3. ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon, OX11 0QX (United Kingdom)

Description

Synchrotron X-ray and neutron diffraction measurements were carried out for (7Li2S)x(P2S5)100−x glasses and a 7Li7P3Sn11 metastable crystal. The Reverse Monte Carlo (RMC) modeling provided us the three-dimensional structures of (7Li2S)x(P2S5)100−x and 7Li7P3S11, particularly the distribution of Li+ cations.

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/340/1/012058

Additional details

Identifiers

DOI
10.1088/1742-6596/340/1/012058;

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
340
Journal Issue
1
Journal Page Range
[4 p.]
ISSN
1742-6596

Conference

Title
5. european conference on neutron scattering
Dates
17-21 Jul 2011
Place
Prague (Czech Republic)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
43101146
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CATIONS; COMPUTERIZED SIMULATION; CRYSTALS; GLASS; IONIC CONDUCTIVITY; LITHIUM IONS; LITHIUM SULFIDES; MONTE CARLO METHOD; NEUTRON DIFFRACTION; PHOSPHORUS SULFIDES; SYNCHROTRON RADIATION; THREE-DIMENSIONAL CALCULATIONS; X-RAY DIFFRACTION
Descriptors DEC
ALKALI METAL COMPOUNDS; BREMSSTRAHLUNG; CALCULATION METHODS; CHALCOGENIDES; CHARGED PARTICLES; COHERENT SCATTERING; DIFFRACTION; ELECTRIC CONDUCTIVITY; ELECTRICAL PROPERTIES; ELECTROMAGNETIC RADIATION; IONS; LITHIUM COMPOUNDS; PHOSPHORUS COMPOUNDS; PHYSICAL PROPERTIES; RADIATIONS; SCATTERING; SIMULATION; SULFIDES; SULFUR COMPOUNDS