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Ground states of Au2Pb and pressure-enhanced superconductivity

Juefei Wu, Zili Feng, Jinghui Wang, Qun Chen, Chi Ding, Tong Chen, Zhaopeng Guo, Jinsheng Wen, Youguo Shi, Dingyu Xing, Jian Sun

DOI 10.1103/PhysRevB.100.060103 · Physical Review B

T1

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Abstract

Au2Pb is a candidate of natural topological superconductors that has attracted much attention in the last few years. Combining ab initio calculations with machine-learning accelerated crystal structure searches, we have found two ground states of Au2Pb: Pca21 phase at ambient pressure and I4¯2d phase at high pressure. The Pca21 phase is energetically more favorable than the known Pbcn structure and can be a candidate for x-ray diffraction refinement; our calculations suggest that high-pressure I4¯2d is a conventional superconductor. By the high-pressure electric resistance measurements, we observed evidence of a Tc enhancement. Tc reaches a maximum value of around 4 K at 5 GPa, then decreases with further compression. The superconductivity can remain unchanged after pressure releasing, in line with our theoretical predictions. These results show that Au2Pb exhibits abundant behaviors under varied pressure and temperature, which can help to understand how to adjust its electronic properties by pressure.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Bi2Se3

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3.8Pressure not reportedunknown
Au2Pb

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1.2Pressure unresolvedunknown
Au2Pb

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2.1Pressure unresolvedonset
Au2Pb

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5.045 GPaunknown
Au2Pb

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4.175 GPaunknown
Au2Pb

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45.6 GPazero_resistance

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