First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa

Abstract We investigate the possibility of achieving the room-temperature superconductivity in hydrogen sulfide (H3S) through increasing external pressure, a path previously widely used to reach metallization and superconducting state in novel hydrogen-rich materials. The electronic properties and s...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Artur P. Durajski, Radosław Szczęśniak
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/145fcc1ec3324b688b8518749dbc0680
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:145fcc1ec3324b688b8518749dbc0680
record_format	dspace
spelling	oai:doaj.org-article:145fcc1ec3324b688b8518749dbc06802021-12-02T16:06:51ZFirst-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa10.1038/s41598-017-04714-52045-2322https://doaj.org/article/145fcc1ec3324b688b8518749dbc06802017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-04714-5https://doaj.org/toc/2045-2322Abstract We investigate the possibility of achieving the room-temperature superconductivity in hydrogen sulfide (H3S) through increasing external pressure, a path previously widely used to reach metallization and superconducting state in novel hydrogen-rich materials. The electronic properties and superconductivity of H3S in the pressure range of 250–500 GPa are determined by the first-principles calculations. The metallic character of a body-centered cubic Im $$\overline{{\bf{3}}}$$ 3 ¯ m structure is found over the whole studied pressure. Moreover, the absence of imaginary frequency in phonon spectrum implies that this structure is dynamically stable. Furthermore, our calculations conducted within the framework of the Eliashberg formalism indicate that H3S in the range of the extremely high pressures is a conventional strong-coupling superconductor with a high superconducting critical temperature, however, the maximum critical temperature does not exceed the value of 203 K.Artur P. DurajskiRadosław SzczęśniakNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Artur P. Durajski Radosław Szczęśniak First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
description	Abstract We investigate the possibility of achieving the room-temperature superconductivity in hydrogen sulfide (H3S) through increasing external pressure, a path previously widely used to reach metallization and superconducting state in novel hydrogen-rich materials. The electronic properties and superconductivity of H3S in the pressure range of 250–500 GPa are determined by the first-principles calculations. The metallic character of a body-centered cubic Im $$\overline{{\bf{3}}}$$ 3 ¯ m structure is found over the whole studied pressure. Moreover, the absence of imaginary frequency in phonon spectrum implies that this structure is dynamically stable. Furthermore, our calculations conducted within the framework of the Eliashberg formalism indicate that H3S in the range of the extremely high pressures is a conventional strong-coupling superconductor with a high superconducting critical temperature, however, the maximum critical temperature does not exceed the value of 203 K.
format	article
author	Artur P. Durajski Radosław Szczęśniak
author_facet	Artur P. Durajski Radosław Szczęśniak
author_sort	Artur P. Durajski
title	First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
title_short	First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
title_full	First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
title_fullStr	First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
title_full_unstemmed	First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa
title_sort	first-principles study of superconducting hydrogen sulfide at pressure up to 500 gpa
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/145fcc1ec3324b688b8518749dbc0680
work_keys_str_mv	AT arturpdurajski firstprinciplesstudyofsuperconductinghydrogensulfideatpressureupto500gpa AT radosławszczesniak firstprinciplesstudyofsuperconductinghydrogensulfideatpressureupto500gpa
_version_	1718384824620679168

First-principles study of superconducting hydrogen sulfide at pressure up to 500 GPa

Ejemplares similares