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Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition. / Khainovsky, Mark A.; Boldyreva, Elena V.; Tsirelson, Vladimir G.

In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 80, No. Pt 2, 01.04.2024, p. 51-63.

Research output: Contribution to journal › Article › peer-review

Harvard

Khainovsky, MA, Boldyreva, EV & Tsirelson, VG 2024, 'Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 80, no. Pt 2, pp. 51-63. https://doi.org/10.1107/S2052520624000428

APA

Khainovsky, M. A., Boldyreva, E. V., & Tsirelson, V. G. (2024). Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 80(Pt 2), 51-63. https://doi.org/10.1107/S2052520624000428

Vancouver

Khainovsky MA, Boldyreva EV, Tsirelson VG. Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024 Apr 1;80(Pt 2):51-63. doi: 10.1107/S2052520624000428

Author

Khainovsky, Mark A. ; Boldyreva, Elena V. ; Tsirelson, Vladimir G. / Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition. In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024 ; Vol. 80, No. Pt 2. pp. 51-63.

BibTeX

@article{dddbec4e07544fd7ba4ca8a859de8dee,
title = "Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition",
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 β0-phase in relation to the mechanism of this phase transition.",
keywords = "functional materials, hydrogen bonds, phase transitions in materials, quantum crystallography, structures under extreme conditions",
author = "Khainovsky, {Mark A.} and Boldyreva, {Elena V.} and Tsirelson, {Vladimir G.}",
note = "This work was partially supported by the Ministry of Science and Higher Education of the Russian Federation within the governmental order for Boreskov Institute of Catalysis and by the strategic academic leadership program 2018-Priority 2030-2019 at the Novosibirsk State University.",
year = "2024",
month = apr,
day = "1",
doi = "10.1107/S2052520624000428",
language = "English",
volume = "80",
pages = "51--63",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
issn = "2052-5192",
publisher = "Wiley-Blackwell",
number = "Pt 2",

}

RIS

TY - JOUR

T1 - Elastic and piezoelectric properties of b-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition

AU - Khainovsky, Mark A.

AU - Boldyreva, Elena V.

AU - Tsirelson, Vladimir G.

N1 - This work was partially supported by the Ministry of Science and Higher Education of the Russian Federation within the governmental order for Boreskov Institute of Catalysis and by the strategic academic leadership program 2018-Priority 2030-2019 at the Novosibirsk State University.

PY - 2024/4/1

Y1 - 2024/4/1

N2 - 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 β0-phase in relation to the mechanism of this phase transition.

AB - 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 β0-phase in relation to the mechanism of this phase transition.

KW - functional materials

KW - hydrogen bonds

KW - phase transitions in materials

KW - quantum crystallography

KW - structures under extreme conditions

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85189940978&origin=inward&txGid=b53100013306c10041ee7fb2a5496d27

UR - https://www.mendeley.com/catalogue/c5b1ccd2-412a-3214-989f-cee6885145a6/

U2 - 10.1107/S2052520624000428

DO - 10.1107/S2052520624000428

M3 - Article

C2 - 38335030

VL - 80

SP - 51

EP - 63

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

IS - Pt 2

ER -

ID: 61079140