Journal
PRAMANA-JOURNAL OF PHYSICS
Volume 74, Issue 6, Pages 1017-1027Publisher
INDIAN ACAD SCIENCES
DOI: 10.1007/s12043-010-0077-9
Keywords
X-ray scattering; band structure calculations; density functional theory; semiconductors
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Funding
- DST, New Delhi (India)
- DRDO, New Delhi (India)
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We have carried out an extensive study of electronic properties of silver iodide in beta- and gamma-phases. The theoretical Compton profiles, energy bands, density of states and anisotropies in momentum densities are computed using density functional theories. We have also employed full-potential linearized augmented plane-wave method to derive the energy bands and the density of states. To compare our theoretical data, isotropic Compton profile measurement on gamma-AgI using Cs-137 Compton spectrometer at an intermediate resolution of 0.38 a.u. has been undertaken. The theoretical anisotropies are also interpreted on the basis of energy bands.
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