Conţinutul numărului revistei |
Articolul precedent |
Articolul urmator |
694 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 |
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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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