Vibrational study of HgGa2S4 under high pressure

Vilaplana Rosario Isabel; Robledillo M.; Gomis Oscar; Sans J.; Manjon Francisco Javier; Perez-Gonzalez Eduardo; Rodriguez-Hernandez Placida Rogelio; Munoz Alfonso Gonzalez; Tiginyanu Ion; Ursachi Veaceslav

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2018-09-30 17:51

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VILAPLANA, Rosario Isabel, ROBLEDILLO, M., GOMIS, Oscar, SANS, J., MANJON, Francisco Javier, PEREZ-GONZALEZ, Eduardo, RODRIGUEZ-HERNANDEZ, Placida Rogelio, MUNOZ, Alfonso Gonzalez, TIGINYANU, Ion, URSACHI, Veaceslav. Vibrational study of HgGa2S4 under high pressure. In: Journal of Applied Physics, 2013, vol. 113, p. 0. ISSN 0021-8979. DOI: https://doi.org/10.1063/1.4794096

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Journal of Applied Physics

Volumul 113 / 2013 / ISSN 0021-8979 /ISSNe 1089-7550

Vibrational study of HgGa₂S₄ under high pressure

DOI:https://doi.org/10.1063/1.4794096

Pag. 0-0

Vilaplana Rosario Isabel¹, Robledillo M.¹, Gomis Oscar¹, Sans J.¹, Manjon Francisco Javier¹, Perez-Gonzalez Eduardo², Rodriguez-Hernandez Placida Rogelio², Munoz Alfonso Gonzalez², Tiginyanu Ion³, Ursachi Veaceslav³

¹ Universitat Politècnica de València,
² Universidad de La Laguna,
³ Institute of Applied Physics, Academy of Sciences of Moldova

Disponibil în IBN: 23 martie 2018

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In this work, we report on high-pressure Raman scattering measurements in mercury digallium sulfide (HgGa₂S₄) with defect chalcopyrite structure that have been complemented with lattice dynamics ab initio calculations. Our measurements evidence that this semiconductor exhibits a pressure-induced phase transition from the completely ordered defect chalcopyrite structure to a partially disordered defect stannite structure above 18 GPa which is prior to the transition to the completely disordered rocksalt phase above 23 GPa. Furthermore, a completely disordered zincblende phase is observed below 5 GPa after decreasing pressure from 25 GPa. The disordered zincblende phase undergoes a reversible pressure-induced phase transition to the disordered rocksalt phase above 18 GPa. The sequence of phase transitions here reported for HgGa₂S₄ evidence the existence of an intermediate phase with partial cation-vacancy disorder between the ordered defect chalcopyrite and the disordered rocksalt phases and the irreversibility of the pressure-induced order-disorder processes occurring in ordered-vacancy compounds. The pressure dependence of the Raman modes of all phases, except the Raman-inactive disordered rocksalt phase, have been measured and discussed.

Cuvinte-cheie
Engineering controlled terms Copper compounds, Crystal lattices, Solids, Zinc sulfide Engineering uncontrolled terms Ab initio calculations, Defect chalcopyrite structure, Defect chalcopyrites, High pressure, Intermediate phase, Pressure dependence, Pressure-induced phase transition, Raman modes, Raman Scattering measurements, Rock salt, Rock-salt phase, Vibrational study, Zinc-blende Engineering main heading Defects

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<title xml:lang='en'>Vibrational study of HgGa2S4 under high pressure</title>
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<publicationYear>2013</publicationYear>
<relatedIdentifier relatedIdentifierType='ISSN' relationType='IsPartOf'>0021-8979</relatedIdentifier>
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<subject>Engineering controlled terms
Copper compounds</subject>
<subject>Crystal lattices</subject>
<subject>Solids</subject>
<subject>Zinc sulfide
Engineering uncontrolled terms
Ab initio calculations</subject>
<subject>Defect chalcopyrite structure</subject>
<subject>Defect chalcopyrites</subject>
<subject>High pressure</subject>
<subject>Intermediate phase</subject>
<subject>Pressure dependence</subject>
<subject>Pressure-induced phase transition</subject>
<subject>Raman modes</subject>
<subject>Raman Scattering measurements</subject>
<subject>Rock salt</subject>
<subject>Rock-salt phase</subject>
<subject>Vibrational study</subject>
<subject>Zinc-blende
Engineering main heading
Defects</subject>
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<description xml:lang='en' descriptionType='Abstract'><p>In this work, we report on high-pressure Raman scattering measurements in mercury digallium sulfide (HgGa<sub>2</sub>S<sub>4</sub>) with defect chalcopyrite structure that have been complemented with lattice dynamics ab initio calculations. Our measurements evidence that this semiconductor exhibits a pressure-induced phase transition from the completely ordered defect chalcopyrite structure to a partially disordered defect stannite structure above 18 GPa which is prior to the transition to the completely disordered rocksalt phase above 23 GPa. Furthermore, a completely disordered zincblende phase is observed below 5 GPa after decreasing pressure from 25 GPa. The disordered zincblende phase undergoes a reversible pressure-induced phase transition to the disordered rocksalt phase above 18 GPa. The sequence of phase transitions here reported for HgGa<sub>2</sub>S<sub>4</sub> evidence the existence of an intermediate phase with partial cation-vacancy disorder between the ordered defect chalcopyrite and the disordered rocksalt phases and the irreversibility of the pressure-induced order-disorder processes occurring in ordered-vacancy compounds. The pressure dependence of the Raman modes of all phases, except the Raman-inactive disordered rocksalt phase, have been measured and discussed.</p></description>
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