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The Debye-Waller factor has been calculated for stabilized delta-phase plutonium with 5% aluminum. A quasi-harmonic Born-von Karman force model with temperature dependent phonon frequencies was used to calculate the mean-square thermal atomic displacement from absolute zero to 800 K. Implementation of the observed anomalous softening of the long wavelength phonons with increasing temperature cannot account for the softening of the measured thermal parameter at high temperatures nor for its rather high value at low temperatures. The implications for diffraction measurements on delta-phase stabilized plutonium alloys are discussed.
A new quantum-theoretical derivation of the elastic and inelastic scattering probability of He atoms from a metal surface, where the energy and momentum exchange with the phonon gas can only occur through the mediation of the surface free-electron de
By means of first principles calculations, we computed the effective electron-phonon coupling constant $G_0$ governing the electron cooling in photoexcited bismuth. $G_0$ strongly increases as a function of electron temperature, which can be traced b
The effects on the local structure due to self-irradiation damage of Ga stabilized $delta$-Pu stored at cryogenic temperatures have been examined using extended x-ray absorption fine structure (EXAFS) experiments. Extensive damage, seen as a loss of
The {em around-mean-field} LSDA+U correlated band theory is applied to investigate the electronic and magnetic structure of $fcc$-Pu-Am alloys. Despite a lattice expansion caused by the Am atoms, neither tendency to 5$f$ localization nor formation of
Correlation effects are important for making predictions in the delta phase of Pu. Using a realistic treatment of the intra-atomic Coulomb correlations we address the long-standing problem of computing ground state properties. The equilibrium volume