Conţinutul numărului revistei |
Articolul precedent |
Articolul urmator |
693 0 |
SM ISO690:2012 GOMIS, Oscar, SANTAMARIA-PEREZ, David, VILAPLANA, Rosario Isabel, LUNA, Ramon, SANS, J., MANJON, Francisco Javier, ERRANDONEA, Daniel J.H., PEREZ-GONZALEZ, Eduardo, RODRIGUEZ-HERNANDEZ, Placida Rogelio, MUNOZ, Alfonso Gonzalez, TIGINYANU, Ion, URSAKI, Veacheslav. Structural and elastic properties of defect chalcopyrite HgGa 2S4 under high pressure. In: Journal of Alloys and Compounds, 2014, vol. 583, pp. 70-78. ISSN 0925-8388. DOI: https://doi.org/10.1016/j.jallcom.2013.08.123 |
EXPORT metadate: Google Scholar Crossref CERIF DataCite Dublin Core |
Journal of Alloys and Compounds | |
Volumul 583 / 2014 / ISSN 0925-8388 | |
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DOI: https://doi.org/10.1016/j.jallcom.2013.08.123 | |
Pag. 70-78 | |
Rezumat | |
In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa2S4) at high pressures. This compound belongs to the family of AB2X4 ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa2S4 have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pressure dependence of the theoretical cation-anion and vacancy-anion distances and compressibilities in HgGa2S4 are reported and discussed in comparison to other related ordered-vacancy compounds. Finally, the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa2S4 has been studied. Our calculations indicate that the low-pressure phase of HgGa2S 4 becomes mechanically unstable above 13.8 GPa. |
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Cuvinte-cheie elasticity, Equation of state, High-pressure, mechanical properties, Semiconductors, X-ray diffraction |
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Dublin Core Export
<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc='http://purl.org/dc/elements/1.1/' xmlns:oai_dc='http://www.openarchives.org/OAI/2.0/oai_dc/' xmlns:xsi='http://www.w3.org/2001/XMLSchema-instance' xsi:schemaLocation='http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd'> <dc:creator>Gomis, O.</dc:creator> <dc:creator>Santamaria-Perez, D.</dc:creator> <dc:creator>Vilaplana, R.</dc:creator> <dc:creator>Luna, R.</dc:creator> <dc:creator>Sans, J.A.</dc:creator> <dc:creator>Manjon, F.</dc:creator> <dc:creator>Errandonea, D.</dc:creator> <dc:creator>Perez-Gonzalez, E.</dc:creator> <dc:creator>Rodriguez-Hernandez, P.</dc:creator> <dc:creator>Munoz, A.</dc:creator> <dc:creator>Tighineanu, I.M.</dc:creator> <dc:creator>Ursachi, V.V.</dc:creator> <dc:date>2014-01-15</dc:date> <dc:description xml:lang='en'><p>In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa<sub>2</sub>S<sub>4</sub>) at high pressures. This compound belongs to the family of AB<sub>2</sub>X<sub>4</sub> ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa<sub>2</sub>S<sub>4</sub> have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pressure dependence of the theoretical cation-anion and vacancy-anion distances and compressibilities in HgGa<sub>2</sub>S<sub>4</sub> are reported and discussed in comparison to other related ordered-vacancy compounds. Finally, the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa<sub>2</sub>S<sub>4</sub> has been studied. Our calculations indicate that the low-pressure phase of HgGa<sub>2</sub>S <sub>4</sub> becomes mechanically unstable above 13.8 GPa.</p></dc:description> <dc:identifier>10.1016/j.jallcom.2013.08.123</dc:identifier> <dc:source>Journal of Alloys and Compounds () 70-78</dc:source> <dc:subject>elasticity</dc:subject> <dc:subject>Equation of state</dc:subject> <dc:subject>High-pressure</dc:subject> <dc:subject>mechanical properties</dc:subject> <dc:subject>Semiconductors</dc:subject> <dc:subject>X-ray diffraction</dc:subject> <dc:title>Structural and elastic properties of defect chalcopyrite HgGa 2S4 under high pressure</dc:title> <dc:type>info:eu-repo/semantics/article</dc:type> </oai_dc:dc>