Electrical and magnetic properties of La2NiO4 doped by Na and K

Ab initio theory of the many-body interaction and elastic properties of rare-gas crystals under pressure

“…The adiabatic potential U, which is required to construct the dynamics of crystal lattices, can be calculated from first principles or approximated by the well-known function of the distance, i.e., by using the method of interatomic model (empirical) potentials. As new information concerning the phonon spectra and elastic properties of the crystals becomes available, the theory can be refined in the following ways: (i) by including the interaction of more distant neighbors [2,3], (ii) by introducing the long-range three-body interaction [4] and short-range three-body interaction [5][6][7][8][9][10], and also (iii) by taking into account the dipole deformation [11][12][13][14] and quadrupole deformation [15,16] of the atoms.…”

“…These integrals do not depend on the interatomic distances in the crystal and, consequently, on the pressure. However, in the correction DE(P 2 ) (12) they are multiplied by the product P ll ss P ll s 0 s 0 $ S 4 and the terms with the one-center integrals in expression (12) are also proportional to S 4 . (ii) The two-center integrals with m 6 ¼ l…”

Theoretical model for thermally stimulated luminescence, conductivity and exoelectronic emission

“…An important problem which arises from TSEE concerns the way in which the exoelectrons are ejected out of the solid. Among the various concepts proposed to answer this question [16][17][18][19], the thermionic model firstly proposed by Bohun [20] and then developed by Holzapfel [21] gave rise to the majority of theoretical developments [22][23][24][25].…”