Structureand Superconductivityof Hydrogenated TiZrAlloys Under High Pressure

The effects of pressure on the structure and electrical transport properties, including electrical resistance and critical magnetic field values for superconductivity in pristine and hydrogenated TiZr alloys, were investigated. As pressure increased from ambient to 55 GPa, the structure of the pristine TiZr alloys transformed from hcp to bcc via an intermediate ω phase. The superconducting transition temperature (<i>T</i><sub>c</sub>) significantly increased from 1.76 K at ambient pressure to 15.5 K at 52.2 GPa, accompanied by an extrapolated upper critical field of 24.5 T at <i>T</i> = 0 K. In contrast, the hydrogenated samples exhibited substantially lower <i>T</i><sub>c</sub> values compared to the pristine ones, with a <i>T</i><sub>c</sub> of 4.6 K at 50.5 GPa and an extrapolated upper critical field of 1.8 T at <i>T</i> = 0 K. Upon decompression, the superconductivity in the hydrogenated sample persisted down to 25 GPa, disappearing when the pressure was reduced to 19 GPa. Synchrotron X-ray diffractions (XRD) analysis revealed the formation of three hydrides: <i>I</i>4/<i>mmm</i>-(Ti, Zr)H<sub>2</sub>, <i>P</i>6<sub>3</sub>/<i>mmc</i>-(Ti, Zr)H<sub>3</sub>, and <i>I</i>4̅3<i>d</i>-(Ti,Zr)<sub>4</sub>H<sub>15</sub>. By combining XRD and electrical resistance data, we tentatively propose that the <i>P</i>6<sub>3</sub>/<i>mmc-</i>(Ti, Zr)H<sub>3</sub> predominantly induces superconductivity. In contrast to superhydrides, where electron–phonon interactions increase the superconducting temperature at high pressure, hydrogen atoms in hcp-(Ti, Zr)H<sub>3</sub> reduce <i>T</i><sub>c</sub>.

Publication Details

Journal
Figshare
Published
2025-02-05
DOI
https://doi.org/10.1021/acsaem.4c02632.s001
Primary Topic
Hydrogen Storage and Materials
Type
article
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article

Structureand Superconductivityof Hydrogenated TiZrAlloys Under High Pressure

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Hydrogen Storage and Materials
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Structureand Superconductivityof Hydrogenated TiZrAlloys Under High Pressure

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Abstract

The effects of pressure on the structure and electrical transport properties, including electrical resistance and critical magnetic field values for superconductivity in pristine and hydrogenated TiZr alloys, were investigated. As pressure increased from ambient to 55 GPa, the structure of the pristine TiZr alloys transformed from hcp to bcc via an intermediate ω phase. The superconducting transition temperature (<i>T</i><sub>c</sub>) significantly increased from 1.76 K at ambient pressure to 15.5 K at 52.2 GPa, accompanied by an extrapolated upper critical field of 24.5 T at <i>T</i> = 0 K. In contrast, the hydrogenated samples exhibited substantially lower <i>T</i><sub>c</sub> values compared to the pristine ones, with a <i>T</i><sub>c</sub> of 4.6 K at 50.5 GPa and an extrapolated upper critical field of 1.8 T at <i>T</i> = 0 K. Upon decompression, the superconductivity in the hydrogenated sample persisted down to 25 GPa, disappearing when the pressure was reduced to 19 GPa. Synchrotron X-ray diffractions (XRD) analysis revealed the formation of three hydrides: <i>I</i>4/<i>mmm</i>-(Ti, Zr)H<sub>2</sub>, <i>P</i>6<sub>3</sub>/<i>mmc</i>-(Ti, Zr)H<sub>3</sub>, and <i>I</i>4̅3<i>d</i>-(Ti,Zr)<sub>4</sub>H<sub>15</sub>. By combining XRD and electrical resistance data, we tentatively propose that the <i>P</i>6<sub>3</sub>/<i>mmc-</i>(Ti, Zr)H<sub>3</sub> predominantly induces superconductivity. In contrast to superhydrides, where electron–phonon interactions increase the superconducting temperature at high pressure, hydrogen atoms in hcp-(Ti, Zr)H<sub>3</sub> reduce <i>T</i><sub>c</sub>.

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