Conţinutul numărului revistei |
Articolul precedent |
Articolul urmator |
707 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, URSACHI, Veaceslav. 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 | |
|
|
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. |
|
Cuvinte-cheie elasticity, Equation of state, High-pressure, mechanical properties, Semiconductors, X-ray diffraction |
|
|
Cerif XML Export
<?xml version='1.0' encoding='utf-8'?> <CERIF xmlns='urn:xmlns:org:eurocris:cerif-1.5-1' xsi:schemaLocation='urn:xmlns:org:eurocris:cerif-1.5-1 http://www.eurocris.org/Uploads/Web%20pages/CERIF-1.5/CERIF_1.5_1.xsd' xmlns:xsi='http://www.w3.org/2001/XMLSchema-instance' release='1.5' date='2012-10-07' sourceDatabase='Output Profile'> <cfResPubl> <cfResPublId>ibn-ResPubl-60656</cfResPublId> <cfResPublDate>2014-01-15</cfResPublDate> <cfStartPage>70</cfStartPage> <cfISSN>0925-8388</cfISSN> <cfURI>https://ibn.idsi.md/ro/vizualizare_articol/60656</cfURI> <cfTitle cfLangCode='EN' cfTrans='o'>Structural and elastic properties of defect chalcopyrite HgGa 2S4 under high pressure</cfTitle> <cfKeyw cfLangCode='EN' cfTrans='o'>elasticity; Equation of state; High-pressure; mechanical properties; Semiconductors; X-ray diffraction</cfKeyw> <cfAbstr cfLangCode='EN' cfTrans='o'><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></cfAbstr> <cfResPubl_Class> <cfClassId>eda2d9e9-34c5-11e1-b86c-0800200c9a66</cfClassId> <cfClassSchemeId>759af938-34ae-11e1-b86c-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfResPubl_Class> <cfResPubl_Class> <cfClassId>e601872f-4b7e-4d88-929f-7df027b226c9</cfClassId> <cfClassSchemeId>40e90e2f-446d-460a-98e5-5dce57550c48</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfResPubl_Class> <cfPers_ResPubl> <cfPersId>ibn-person-55438</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55446</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55439</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-56565</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55445</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-15481</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-15479</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55440</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55442</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-55443</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-239</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfPers_ResPubl> <cfPersId>ibn-person-247</cfPersId> <cfClassId>49815870-1cfe-11e1-8bc2-0800200c9a66</cfClassId> <cfClassSchemeId>b7135ad0-1d00-11e1-8bc2-0800200c9a66</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> </cfPers_ResPubl> <cfFedId> <cfFedIdId>ibn-doi-60656</cfFedIdId> <cfFedId>10.1016/j.jallcom.2013.08.123</cfFedId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFedId_Class> <cfClassId>31d222b4-11e0-434b-b5ae-088119c51189</cfClassId> <cfClassSchemeId>bccb3266-689d-4740-a039-c96594b4d916</cfClassSchemeId> </cfFedId_Class> <cfFedId_Srv> <cfSrvId>5123451</cfSrvId> <cfClassId>eda2b2e2-34c5-11e1-b86c-0800200c9a66</cfClassId> <cfClassSchemeId>5a270628-f593-4ff4-a44a-95660c76e182</cfClassSchemeId> </cfFedId_Srv> </cfFedId> </cfResPubl> <cfPers> <cfPersId>ibn-Pers-55438</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55438-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Gomis</cfFamilyNames> <cfFirstNames>Oscar</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55446</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55446-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Santamaria-Perez</cfFamilyNames> <cfFirstNames>David</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55439</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55439-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Vilaplana</cfFamilyNames> <cfFirstNames>Rosario Isabel</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-56565</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-56565-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Luna</cfFamilyNames> <cfFirstNames>Ramon</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55445</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55445-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Sans</cfFamilyNames> <cfFirstNames>J.</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-15481</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-15481-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Manjon</cfFamilyNames> <cfFirstNames>Francisco Javier</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-15479</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-15479-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Errandonea</cfFamilyNames> <cfFirstNames>Daniel J.H.</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55440</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55440-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Perez-Gonzalez</cfFamilyNames> <cfFirstNames>Eduardo</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55442</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55442-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Rodriguez-Hernandez</cfFamilyNames> <cfFirstNames>Placida Rogelio</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-55443</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-55443-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Munoz</cfFamilyNames> <cfFirstNames>Alfonso Gonzalez</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-239</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-239-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Tiginyanu</cfFamilyNames> <cfFirstNames>Ion</cfFirstNames> <cfFamilyNames>Тигиняну</cfFamilyNames> <cfFirstNames>И.</cfFirstNames> </cfPersName_Pers> </cfPers> <cfPers> <cfPersId>ibn-Pers-247</cfPersId> <cfPersName_Pers> <cfPersNameId>ibn-PersName-247-3</cfPersNameId> <cfClassId>55f90543-d631-42eb-8d47-d8d9266cbb26</cfClassId> <cfClassSchemeId>7375609d-cfa6-45ce-a803-75de69abe21f</cfClassSchemeId> <cfStartDate>2014-01-15T24:00:00</cfStartDate> <cfFamilyNames>Ursachi</cfFamilyNames> <cfFirstNames>Veaceslav</cfFirstNames> </cfPersName_Pers> </cfPers> <cfSrv> <cfSrvId>5123451</cfSrvId> <cfName cfLangCode='en' cfTrans='o'>CrossRef DOI prefix service</cfName> <cfDescr cfLangCode='en' cfTrans='o'>The service of issuing DOI prefixes to publishers</cfDescr> <cfKeyw cfLangCode='en' cfTrans='o'>persistent identifier; Digital Object Identifier</cfKeyw> </cfSrv> </CERIF>