| Structural phase transition of SnSe under uniaxial stress and hydrostatic pressure: an ab initio study. | |
| | |
MedLine Citation:
|
PMID: 21360183 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
|
We study the structural behavior of SnSe under the hydrostatic pressure using a constant pressure ab initio technique. We find SnSe undergoes a structural second order phase transition from the orthorhombic (Pnma) structure to orthorhombic (Cmcm) structure in the constant pressure simulation at 7 GPa which is in good agreement with the recent experimental study. The Cmcm structure is fivefold coordinated. This phase transition is also analyzed from the total energy calculations. Besides, we study the behavior of SnSe under uniaxial stress. |
| | |
Authors:
|
Sebahaddin Alptekin |
Related Documents
:
|
1589553 - Pulmonary function in microgravity. 10194143 - Inhaled fenoterol-ipratropium bromide in mechanically ventilated patients with chronic ... 2643853 - Systemic arterial hypertension in head trauma. |
Publication Detail:
|
Type: JOURNAL ARTICLE Date: 2011-3-1 |
Journal Detail:
|
Title: Journal of molecular modeling Volume: - ISSN: 0948-5023 ISO Abbreviation: - Publication Date: 2011 Mar |
Date Detail:
|
Created Date: 2011-3-1 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 9806569 Medline TA: J Mol Model Country: - |
Other Details:
|
Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
|
Department of Physics, Faculty of Science, Cankiri Karatekin University, 18100, Cankiri, TURKEY, salptekin@karatekin.edu.tr. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid di...
Next Document: Structure and electronic properties of Alq3 derivatives with electron acceptor/donor groups at the C...