High-pressure study of the structural and elastic properties of defect-chalcopyrite HgGa2Se4
Închide
Conţinutul numărului revistei
Articolul precedent
Articolul urmator
747 0
SM ISO690:2012
GOMIS, Oscar, VILAPLANA, Rosario Isabel, MANJON, Francisco Javier, SANTAMARIA-PEREZ, David, ERRANDONEA, Daniel J.H., PEREZ-GONZALEZ, Eduardo, LOPEZ-SOLANO, Javier, RODRIGUEZ-HERNANDEZ, Placida Rogelio, MUNOZ, Alfonso Gonzalez, TIGINYANU, Ion, URSACHI, Veaceslav. High-pressure study of the structural and elastic properties of defect-chalcopyrite HgGa2Se4. In: Journal of Applied Physics, 2013, vol. 113, p. 0. ISSN 0021-8979. DOI: https://doi.org/10.1063/1.4792495
EXPORT metadate:
Google Scholar
Crossref
CERIF

DataCite
Dublin Core
Journal of Applied Physics
Volumul 113 / 2013 / ISSN 0021-8979 /ISSNe 1089-7550

High-pressure study of the structural and elastic properties of defect-chalcopyrite HgGa2Se4

DOI:https://doi.org/10.1063/1.4792495

Pag. 0-0

Gomis Oscar1, Vilaplana Rosario Isabel1, Manjon Francisco Javier1, Santamaria-Perez David2, Errandonea Daniel J.H.3, Perez-Gonzalez Eduardo4, Lopez-Solano Javier4, Rodriguez-Hernandez Placida Rogelio4, Munoz Alfonso Gonzalez4, Tiginyanu Ion5, Ursachi Veaceslav5
 
1 Universitat Politècnica de València,
2 Universidad Complutense de Madrid,
3 Universitat de València,
4 Universidad de La Laguna,
5 Institute of Applied Physics, Academy of Sciences of Moldova
 
 
Disponibil în IBN: 23 martie 2018


Rezumat

In this work, we focus on the study of the structural and elastic properties of mercury digallium selenide (HgGa2Se4) which belongs to the family of AB2X4 ordered-vacancy compounds with tetragonal defect chalcopyrite structure. We have carried out high-pressure x-ray diffraction measurements up to 13.2 GPa. Our measurements have been complemented and compared with total-energy ab initio calculations. The equation of state and the axial compressibilities for the low-pressure phase of HgGa2Se4 have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The theoretical cation-anion and vacancy-anion distances in HgGa2Se 4 have been determined. The internal distance compressibility in HgGa2Se4 has been compared with those that occur in binary HgSe and ε-GaSe compounds. It has been found that the Hg-Se and Ga-Se bonds behave in a similar way in the three compounds. It has also been found that bulk compressibility of the compounds decreases following the sequence "ε-GaSe > HgGa2Se4 > HgSe." Finally, we have studied the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa2Se4. Our calculations report that the low-pressure phase of HgGa2Se4 becomes mechanically unstable above 13.3 GPa.

Cuvinte-cheie
Engineering controlled terms Compressibility, Copper compounds, defects, elasticity, X ray diffraction Engineering uncontrolled terms Ab initio calculations, Defect chalcopyrite structure, Elastic properties, Equation of state, High-pressure x-ray diffractions, Pressure dependence, Selenides Engineering main heading Mercury compounds

Google Scholar Export

<meta name="citation_title" content="High-pressure study of the structural and elastic properties of defect-chalcopyrite HgGa2Se4">
<meta name="citation_author" content="Gomis Oscar">
<meta name="citation_author" content="Vilaplana Rosario Isabel">
<meta name="citation_author" content="Manjon Francisco Javier">
<meta name="citation_author" content="Santamaria-Perez David">
<meta name="citation_author" content="Errandonea Daniel J.H.">
<meta name="citation_author" content="Perez-Gonzalez Eduardo">
<meta name="citation_author" content="Lopez-Solano Javier">
<meta name="citation_author" content="Rodriguez-Hernandez Placida Rogelio">
<meta name="citation_author" content="Munoz Alfonso Gonzalez">
<meta name="citation_author" content="Tiginyanu Ion">
<meta name="citation_author" content="Ursachi Veaceslav">
<meta name="citation_publication_date" content="2013/02/21">
<meta name="citation_journal_title" content="Journal of Applied Physics">
<meta name="citation_pdf_url" content="https://aip.scitation.org/doi/10.1063/1.4792495">