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 SM ISO690:2012EFTHIMIOPOULOS, Ilias, LIU, Zhi T.Y., KHARE, Sanjay V., SARIN, Pankaj, TSURKAN, Vladimir, LOIDL, Alois, POPOV, Dimitriy Yu., WANG, Yuejian. Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure. In: Physical Review B, 2016, vol. 93, pp. 1-17. ISSN 2469-9950. DOI: https://doi.org/10.1103/PhysRevB.93.174103 |
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  Physical Review B |
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| Volumul 93 / 2016 / ISSN 2469-9950 /ISSNe 2469-9969 | |
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| DOI:https://doi.org/10.1103/PhysRevB.93.174103 | |
| Pag. 1-17 | |
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Τhe magnetoelectric ZnCr2Se4 spinel, with space group Fd3m, undergoes a reversible first-order structural transition initiating at 17 GPa, as revealed by our high-pressure x-ray diffraction studies at room temperature. We tentatively assign the high-pressure modification to an AMo2S4-type phase, a distorted variant of the monoclinic Cr3S4 structure. Furthermore, our Raman investigation provides evidence for a pressure-induced insulator-metal transition. Our density functional theory calculations successfully reproduce the structural transition. They indicate significant band gap and magnetic moment reduction accompanying the pressure-induced structural modification. We discuss our findings in conjunction with the available high-pressure results on other Cr-based chalcogenide spinels. |
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| Cuvinte-cheie Chromium compounds, density functional theory, Energy gap, Magnetic moments, Metal insulator transition, Selenium compounds |
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<?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>Efthimiopoulos, I.</dc:creator> <dc:creator>Liu, Z.</dc:creator> <dc:creator>Khare, S.</dc:creator> <dc:creator>Sarin, P.</dc:creator> <dc:creator>Ţurcan, V.V.</dc:creator> <dc:creator>Loidl, A.</dc:creator> <dc:creator>Popov, D.</dc:creator> <dc:creator>Wang, Y.</dc:creator> <dc:date>2016-05-09</dc:date> <dc:description xml:lang='en'><p>Τhe magnetoelectric ZnCr2Se4 spinel, with space group Fd3m, undergoes a reversible first-order structural transition initiating at 17 GPa, as revealed by our high-pressure x-ray diffraction studies at room temperature. We tentatively assign the high-pressure modification to an AMo2S4-type phase, a distorted variant of the monoclinic Cr3S4 structure. Furthermore, our Raman investigation provides evidence for a pressure-induced insulator-metal transition. Our density functional theory calculations successfully reproduce the structural transition. They indicate significant band gap and magnetic moment reduction accompanying the pressure-induced structural modification. We discuss our findings in conjunction with the available high-pressure results on other Cr-based chalcogenide spinels. </p></dc:description> <dc:identifier>10.1103/PhysRevB.93.174103</dc:identifier> <dc:source>Physical Review B () 1-17</dc:source> <dc:subject>Chromium compounds</dc:subject> <dc:subject>density functional theory</dc:subject> <dc:subject>Energy gap</dc:subject> <dc:subject>Magnetic moments</dc:subject> <dc:subject>Metal insulator transition</dc:subject> <dc:subject>Selenium compounds</dc:subject> <dc:title>Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure</dc:title> <dc:type>info:eu-repo/semantics/article</dc:type> </oai_dc:dc>
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