Bulk modulus of molecular crystals

doi:10.1088/1674-1056/adca1a

中国物理B ›› 2025, Vol. 34 ›› Issue (6): 66201-066201.doi: 10.1088/1674-1056/adca1a

所属专题： SPECIAL TOPIC — Structures and properties of materials under high pressure

Bulk modulus of molecular crystals

Xudong Jiang(江旭东), Yajie Wang(汪雅洁)†, Kuo Li(李阔), and Haiyan Zheng(郑海燕)‡

Center for High Pressure Science and Technology Advanced Research, Beijing 100193, China

收稿日期:2025-02-21 修回日期:2025-04-01 接受日期:2025-04-08 出版日期:2025-05-16 发布日期:2025-05-16
通讯作者: Yajie Wang, Haiyan Zheng E-mail:yajie.wang@hpstar.ac.cn;zhenghy@hpstar.ac.cn
基金资助:
Project supported by the National Key Research and Development Program of China (Grant Nos. 2019YFA0708502 and 2023YFA1406200) and the National Natural Science Foundation of China (Grant No. 22022101).

Bulk modulus of molecular crystals

Xudong Jiang(江旭东), Yajie Wang(汪雅洁)†, Kuo Li(李阔), and Haiyan Zheng(郑海燕)‡

Center for High Pressure Science and Technology Advanced Research, Beijing 100193, China

Received:2025-02-21 Revised:2025-04-01 Accepted:2025-04-08 Online:2025-05-16 Published:2025-05-16
Contact: Yajie Wang, Haiyan Zheng E-mail:yajie.wang@hpstar.ac.cn;zhenghy@hpstar.ac.cn
Supported by:
Project supported by the National Key Research and Development Program of China (Grant Nos. 2019YFA0708502 and 2023YFA1406200) and the National Natural Science Foundation of China (Grant No. 22022101).

摘要/Abstract

摘要： Bulk modulus is a constant that measures the incompressibility of materials, which can be obtained in high pressure experiment by fitting the equations of state (EOS), like third-order Birch-Murnaghan EOS (BM EOS) and Vinet EOS. Bulk modulus reflects the intermolecular interaction inside molecular crystals, making it useful for researchers to design novel high pressure materials. This review systematically examines bulk moduli of various molecular crystals, including rare-gas solids, di-atom and triplet-atom molecules, saturated organic molecules, and aromatic organic crystals. Comparisons with ionic crystals are presented, along with an analysis of connections between bulk modulus and crystal structures.

关键词: high pressure, bulk modulus, molecular crystal, intermolecular interaction

Abstract: Bulk modulus is a constant that measures the incompressibility of materials, which can be obtained in high pressure experiment by fitting the equations of state (EOS), like third-order Birch-Murnaghan EOS (BM EOS) and Vinet EOS. Bulk modulus reflects the intermolecular interaction inside molecular crystals, making it useful for researchers to design novel high pressure materials. This review systematically examines bulk moduli of various molecular crystals, including rare-gas solids, di-atom and triplet-atom molecules, saturated organic molecules, and aromatic organic crystals. Comparisons with ionic crystals are presented, along with an analysis of connections between bulk modulus and crystal structures.

Key words: high pressure, bulk modulus, molecular crystal, intermolecular interaction

中图分类号: (High-pressure effects in solids and liquids)

62.50.-p

81.40.Vw (Pressure treatment) 64.70.K (Solid-solid transitions) 61.50.Ks (Crystallographic aspects of phase transformations; pressure effects)

Xudong Jiang(江旭东), Yajie Wang(汪雅洁), Kuo Li(李阔), and Haiyan Zheng(郑海燕). Bulk modulus of molecular crystals[J]. 中国物理B, 2025, 34(6): 66201-066201.

Xudong Jiang(江旭东), Yajie Wang(汪雅洁), Kuo Li(李阔), and Haiyan Zheng(郑海燕). Bulk modulus of molecular crystals[J]. Chin. Phys. B, 2025, 34(6): 66201-066201.

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