Elastic and piezoelectric properties of β-glycine - a quantum crystallography view on intermolecular interactions and
Mark A Khainovsky1, Elena V Boldyreva1, Vladimir G Tsirelson2
1Novosibirsk State University, Pirogova Street 2, Novosibirsk, 630090, Russian Federation.
Abstract:
The effect of hydrostatic compression on the elastic and electronic properties of β-glycine was studied using a quantum crystallography approach. The interrelations between the changes in the microscopic quantum pressure in the electronic continuum, macroscopic compressibility and piezoelectricity were considered. The geometries and energies of hydrogen bonds in the crystal structure of β-glycine were considered as functions of pressure before and after a phase transition into the β'-phase in relation to the mechanism of this phase transition.
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