Next Article in Journal
A Study on the Growth Window of Polycrystalline Diamond on Si3N4-coated N-Polar GaN
Previous Article in Journal
Md-Simulation of Fullerene Rotations in Molecular Crystal Fullerite
Previous Article in Special Issue
Autowave Physics of Material Plasticity
Open AccessArticle

Elastic Properties of Orthorhombic YBa2Cu3O7 under Pressure

by Cai Chen 1,2,*, Lili Liu 2,3, Yufeng Wen 4,5, Youchang Jiang 2 and Liwan Chen 2
1
College of Civil Engineering, Chongqing Three Gorges University, Chongqing 404100, China
2
Department of Physics, Chongqing Three Gorges University, Chongqing 404100, China
3
Institute for Structure and Function, Chongqing University, Chongqing 401331, China
4
School of Mathematical Sciences and Physics, Jinggangshan University, Ji’an 343009, China
5
School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200240, China
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(10), 497; https://doi.org/10.3390/cryst9100497
Received: 1 September 2019 / Revised: 14 September 2019 / Accepted: 19 September 2019 / Published: 25 September 2019
(This article belongs to the Special Issue Elasticity and Micro- and Macro- Plasticity of Crystals)
The pressure dependence of the lattice and elastic constants of the orthorhombic YBa 2 Cu 3 O 7 are firstly investigated using the first principles calculations based on the density functional theory. The calculated lattice parameters at 0 GPa are in agreement with the available experimental data. By the elastic stability criteria under isotropic pressure, it is predicted that YBa 2 Cu 3 O 7 with and orthorhombic structure is mechanically stable under pressure up to 100 GPa. On the basis of the elastic constants, Pugh’s modulus ratio, Poisson’s ratio, elastic anisotropy, Debye temperature, and the minimum thermal conductivity of YBa 2 Cu 3 O 7 under pressure up to 100 GPa are further investigated. It is found that its ductility, Debye temperature, and minimum thermal conductivity increase with pressure. View Full-Text
Keywords: orthorhombic YBa2Cu3O7; structural stability; elastic properties; pressure; first principles orthorhombic YBa2Cu3O7; structural stability; elastic properties; pressure; first principles
Show Figures

Figure 1

MDPI and ACS Style

Chen, C.; Liu, L.; Wen, Y.; Jiang, Y.; Chen, L. Elastic Properties of Orthorhombic YBa2Cu3O7 under Pressure. Crystals 2019, 9, 497.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop