Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

The discovery of superconductivity in metal hydrides requires an understanding of hydrogen interactions with the heavy atom sublattice under high pressure. Here, the authors report evidence of a strong effect of hydrogen on the density increase of 4d yttrium states and strong anharmonic vibrations o...

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Autores principales:	J. Purans, A. P. Menushenkov, S. P. Besedin, A. A. Ivanov, V. S. Minkov, I. Pudza, A. Kuzmin, K. V. Klementiev, S. Pascarelli, O. Mathon, A. D. Rosa, T. Irifune, M. I. Eremets
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/1057802cc99a4138b2100a7f61e987fd
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spelling	oai:doaj.org-article:1057802cc99a4138b2100a7f61e987fd2021-12-02T13:17:53ZLocal electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa10.1038/s41467-021-21991-x2041-1723https://doaj.org/article/1057802cc99a4138b2100a7f61e987fd2021-03-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-21991-xhttps://doaj.org/toc/2041-1723The discovery of superconductivity in metal hydrides requires an understanding of hydrogen interactions with the heavy atom sublattice under high pressure. Here, the authors report evidence of a strong effect of hydrogen on the density increase of 4d yttrium states and strong anharmonic vibrations of yttrium atoms in YH3.J. PuransA. P. MenushenkovS. P. BesedinA. A. IvanovV. S. MinkovI. PudzaA. KuzminK. V. KlementievS. PascarelliO. MathonA. D. RosaT. IrifuneM. I. EremetsNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q J. Purans A. P. Menushenkov S. P. Besedin A. A. Ivanov V. S. Minkov I. Pudza A. Kuzmin K. V. Klementiev S. Pascarelli O. Mathon A. D. Rosa T. Irifune M. I. Eremets Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
description	The discovery of superconductivity in metal hydrides requires an understanding of hydrogen interactions with the heavy atom sublattice under high pressure. Here, the authors report evidence of a strong effect of hydrogen on the density increase of 4d yttrium states and strong anharmonic vibrations of yttrium atoms in YH3.
format	article
author	J. Purans A. P. Menushenkov S. P. Besedin A. A. Ivanov V. S. Minkov I. Pudza A. Kuzmin K. V. Klementiev S. Pascarelli O. Mathon A. D. Rosa T. Irifune M. I. Eremets
author_facet	J. Purans A. P. Menushenkov S. P. Besedin A. A. Ivanov V. S. Minkov I. Pudza A. Kuzmin K. V. Klementiev S. Pascarelli O. Mathon A. D. Rosa T. Irifune M. I. Eremets
author_sort	J. Purans
title	Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
title_short	Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
title_full	Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
title_fullStr	Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
title_full_unstemmed	Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
title_sort	local electronic structure rearrangements and strong anharmonicity in yh3 under pressures up to 180 gpa
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/1057802cc99a4138b2100a7f61e987fd
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Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

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