Next Article in Journal / Special Issue
Elastic, Mechanical and Phonon Behavior of Wurtzite Cadmium Sulfide under Pressure
Previous Article in Journal
Synthesis, Crystal Structure and Hirshfeld Topology Analysis of Polymeric Silver(I) Complex with s-Triazine-Type Ligand
Article Menu
Issue 6 (June) cover image

Export Article

Open AccessArticle
Crystals 2017, 7(6), 161;

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Department of Physics, Hitit University, 19030 Corum, Turkey
Author to whom correspondence should be addressed.
Academic Editor: Matthias Weil
Received: 18 April 2017 / Revised: 23 May 2017 / Accepted: 31 May 2017 / Published: 4 June 2017
(This article belongs to the Special Issue Crystal Chemistry of Zinc, Cadmium and Mercury)
Full-Text   |   PDF [3637 KB, uploaded 4 June 2017]   |  


We report for the first time the application of a mixed-type interatomic potential to determine the high-pressure elastic, mechanical, and phonon properties of wurtzite zinc sulfide (WZ-ZnS) with geometry optimization calculations under pressures up to 12 GPa. Pressure dependency of typical elastic constants, bulk, shear, and Young moduli, both longitudinal and shear wave elastic wave velocities, stability, as well as phonon dispersions and corresponding phonon density of states of WZ-ZnS were surveyed. Our results for the ground state elastic and mechanical quantities of WZ-ZnS are about experiments and better than those of some published theoretical data. Obtained phonon-related results are also satisfactory when compared with experiments and other theoretical findings. View Full-Text
Keywords: ZnS; wurtzite; elastic; mechanical; phonon ZnS; wurtzite; elastic; mechanical; phonon

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

Güler, M.; Güler, E. Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure. Crystals 2017, 7, 161.

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.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Crystals EISSN 2073-4352 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top