Features of the electron structure and magnetic susceptibility of δ-plutonium

Thermodynamic simulation of thermophysical and elastic properties of plutonium

“…The reasons for stabilization of the δ phase rel ative to the α phase are considered on the basis of the results obtained for α Pu as well as the models for δ Pu developed in [2,3]. The basic quantity in the self consistent thermody namic model [3] is the characteristic Debye tempera ture θ, which depends on the temperature and volume; this makes it possible to take into account the effects associated with lattice anharmonicity.…”

“…The calculation of magnetic, thermophysical, and elastic properties of δ plutonium (for Pu 0.96 Ga 0.04 alloy) in [2,3] showed that the experimentally observed strong temperature dependences of these properties are due to consider able lattice and magnetic anharmonicity (i.e., temper ature dependent spin rigidity). Magnetic anharmon ism of Pu 1 -x Ga x alloys was also detected in [4], where their anomalous expansion is explained on the basis of the spin fluctuation model.…”

“…For this reason, in our earlier study [3], in which the thermophysical and elastic properties of δ plutonium Pu 0.95 Ga 0.05 were calculated, we used the method for determining σ based on the attainment of the best agreement between the theoretical and exper imental temperature dependences of the mean square displacement of atoms of the crystal lattice from their equilibrium positions. However, since experimental data of the standard deviation of α Pu atoms are not available, we will determine the Poisson ratio using formula (2) and experimental data [6] on elastic moduli. The molar thermodynamic Gibbs potential in the model considered here is represented by the sum Φ = Φ 0 + Φ ph , where Φ 0 = Φ 0 (P) is the temperature inde pendent part of the thermodynamic potential (which, however, depends on pressure) and the phonon part of the potential is given by (3) where T is the temperature, z = θ/T, and…”

Electronic structure and magnetic susceptibility of monoclinic α-plutonium

“…2 shows the partial densities of states of α plutonium near the Fermi level. For com parison, it also shows the density of states of 5f elec trons of the δ phase (dotted line) [16]. It can be seen that the density of states of 5f electrons in δ plutonium is more than two times higher than that in α pluto nium.…”

A possible spin-fluctuation mechanism in the emergence of superconductivity in a region of magnetic instability, using the example of PuCoGa5

“…performed by self consistent calculations [9,10] of the electron structure in the LDA + U + SO scheme (Fig. 1).…”