Structural, electronic and high-frequency dielectric properties of both the bulk crystal and the
ordered nanostructured metamaterials, nanolayers (NLs) and nanowires (NWs) of hydrogen …

Thermodynamic and dielectric properties of PbHPO 4 and PbHAsO 4 crystals are studied
using the pseudo-spin model for proton subsystem within a two-particle cluster …

A Bi 3 TeBO 9 crystal is an excellent nonlinear optical material as well as an efficient host
matrix for luminescent rare earth ions. Investigated Bi 3 TeBO 9 microcrystals were …

The paper reports the results on first-principles investigation of energy band spectrum and
optical properties of bulk and nanoporous silicon. We present the evolution of energy band …

Lattice dynamics of CsH 2 PO 4 and CsD 2 PO 4 crystals has been studied by density
functional theory in two structural phases (P 2 1/m and P 2 1). The bulk crystal structure …

In this paper, the ferroelectric phase transition and dielectric properties in order-disorder
type PbHPO _ 4 PbHPO 4 crystal are theoretically investigated. We consider the two …

The mean atomic kinetic energies of the proton, Ke (H), and of the deuteron, Ke (D), were
calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro …

In this paper, the ferroelectric transition and dielectric properties of the lead monohydrogen
phosphate (PbHPO4) crystal are theoretically investigated. By using Green's function …

By using the statistical Green function theory and extended two sublattice pseudospin lattice
coupled mode model Hamiltonian for proton subsystem with mean field approximation on …

Hydrogen bonds are of great scientific interest, determining the free energy landscape and
hence chemical and physical properties of many materials systems, for example, the hybrid …