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

被引：2

作者：

Khainovsky, Mark A. ^{[1
,2
]}

Boldyreva, Elena V. ^{[1
,2
]}

Tsirelson, Vladimir G. ^{[3
]}

机构：

[1] Novosibirsk State Univ, Pirogova St 2, Novosibirsk 630090, Russia

[2] Boreskov Inst Catalysis, Lavrentieva Ave 5, Novosibirsk 630090, Russia

[3] Mendeleev Univ Chem Technol, Quantum Chem Dept & Mendeleev Sci Network Adv Stu, Miusskaya Sq 9, Moscow 125047, Russia

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2024年 / 80卷 / Pt 2期

关键词：

quantum crystallography; structures under extreme conditions; functional materials; phase transitions in materials; hydrogen bonds; HYDROGEN-BONDING INTERACTIONS; DENSITY-FUNCTIONAL THEORY; CRYSTAL-STRUCTURE; CHARGE-DENSITY; MOLECULAR-CRYSTALS; ELECTRON-DENSITY; ALPHA-GLYCINE; GAMMA-GLYCINE; AB-INITIO; DFT CALCULATIONS;

D O I：

10.1107/S2052520624000428

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The effect of hydrostatic compression on the elastic and electronic properties of beta-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 beta-glycine were considered as functions of pressure before and after a phase transition into the beta'-phase in relation to the mechanism of this phase transition.

引用

页码：51 / 63

页数：13

共 50 条

[31] High Pressure Structural Phase Transition and Elastic Properties of Lutetium Chalcogenides
Sahu, A. K.
Sanyal, Sankar P.
SOLID STATE PHYSICS, PTS 1 AND 2, 2012, 1447 : 103 - 104
[32] High Pressure Structural Phase Transition and Elastic Properties of Europium Chalcogenides
Sahu, Ashvini K.
Aynyas, M.
Bhardwaj, R.
Sanyal, Sankar P.
TRENDS IN CONDENSED MATTER AND MATERIALS SCIENCE, 2014, 1047 : 163 - +
[33] Structural phase transition and elastic properties of neptunium compounds at high pressure
Jha, PK
Aynyas, M
Sanyal, SP
INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 2004, 42 (02) : 112 - 116
[34] Structural phase transition and elastic properties of cerium chalcogenides at high pressure
Kholiya, K.
Verma, S.
EUROPEAN PHYSICAL JOURNAL B, 2011, 83 (01): : 23 - 28
[35] Structural phase transition and elastic properties of thorium pnictides at high pressure
Kuldeep Kholiya
B R K Gupta
Pramana, 2007, 68 : 649 - 654
[36] ANOMALOUS ELASTIC PROPERTIES OF INBI AT HIGH-PRESSURE
FRITZ, IJ
SOLID STATE COMMUNICATIONS, 1976, 20 (04) : 299 - 303
[37] Low-temperature phase transition in γ-glycine single crystal. Pyroelectric, piezoelectric, dielectric and elastic properties
Tylczynski, Zbigniew
Busz, Piotr
MATERIALS CHEMISTRY AND PHYSICS, 2016, 183 : 254 - 262
[38] High-pressure elastic properties of gallium phosphide
Polian, A
Grimsditch, M
PHYSICAL REVIEW B, 1999, 60 (03): : 1468 - 1470
[39] ELASTIC PROPERTIES OF AMORPHOUS SELENIUM AT HIGH-PRESSURE
LITOV, E
ANDERSON, OL
PHYSICAL REVIEW B, 1978, 18 (10): : 5705 - 5711
[40] ELASTIC PROPERTIES OF POLYCRYSTALLINE GOLD AT HIGH-PRESSURE
CHUI, RHC
KENNEDY, GC
TRANSACTIONS-AMERICAN GEOPHYSICAL UNION, 1973, 54 (04): : 475 - &

← 1 2 3 4 5 →