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High-temperature superconductivity in clathrate thorium-doped hexahydrides A1−xThxH6 (A = La, Ac, and Y) at moderate pressure

Wenxuan Chen, Tiancheng Ma, Zihao Huo, Hongyu Yu, Tian Cui, Defang Duan

DOI 10.1103/PhysRevB.109.224505 · Physical Review B

T1

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Abstract

The discovery of high-temperature superconductivity in hydrides provides a promising route to achieve the goal of room-temperature superconductivity, but the ultrahigh pressure required to be synthesized severely limits their application. The next challenge is to find novel hydrides with high Tc at low pressure, even ambient pressure. Here, we propose a strategy that elements with little electronegativity, large atomic volume, and suitable valence electron number can be regarded as a candidate for reducing the stable pressure by summarizing the superconducting rules of the clathrate hexahydrides, and find that thorium is a good “precompressor.” Based on the above strategy, we doped thorium into clathrate hexahydrides with a H24 cage, and designed a series of hydrides. They could be dynamically stable at moderate pressure, which is much lower than that of the well-known hexahydrides CaH6. Remarkably, LaTh3H24, AcTh3H24, and YThH12 exhibit excellent superconductivity with high Tc of 198 K at 50 GPa, 201 K at 60 GPa, and 208 K at 60 GPa, respectively. This work suggests that thorium doping is an effective method for finding hydrides with high Tc at moderate pressure, and successfully helps us design a series of interesting high-temperature superconducting hydrides.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
LaTh3H24

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19850 GPaunknown
AcTh3H24

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20160 GPaunknown
YThH12

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20860 GPaunknown
YTh2H18

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19960 GPaunknown
LaTh2H18

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19970 GPaunknown
LaThH12

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231100 GPaunknown
AcThH12

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243110 GPaunknown
AcTh2H18

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20390 GPaunknown
Y2ThH18

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211150 GPaunknown
ThH6

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15950 GPaunknown
YH6

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224166 GPaunknown
LaBeH8

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11080 GPaunknown
CaH6

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235150 GPaunknown

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