Prediction of high-Tc superconductivity in ternary actinium beryllium hydrides at low pressure

Kun Gao; Wenwen Cui; Jingming Shi; Artur P. Durajski; Jian Hao; Silvana Botti; Miguel A. L. Marques; Yinwei Li

doi:10.1103/PhysRevB.109.014501

← Back to search

Prediction of high-Tc superconductivity in ternary actinium beryllium hydrides at low pressure

Kun Gao, Wenwen Cui, Jingming Shi, Artur P. Durajski, Jian Hao, Silvana Botti, Miguel A. L. Marques, Yinwei Li

DOI 10.1103/PhysRevB.109.014501 · Physical Review B

T1

Active bibliographic source — not scientific approval

Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.

Abstract

Hydrogen-rich superconductors are promising candidates to achieve room-temperature superconductivity. However, the extreme pressures needed to stabilize these structures significantly limit their practical applications. An effective strategy to reduce the external pressure is to add a light element M that binds with H to form MHx units, acting as a chemical precompressor. We exemplify this idea by performing ab initio calculations of the Ac–Be–H phase diagram, proving that the metallization pressure of Ac–H binaries, for which critical temperatures as high as 200 K were predicted at 200 GPa, can be significantly reduced via beryllium incorporation. We identify three thermodynamically stable (AcBe2H10, AcBeH8, and AcBe2H14) and four metastable compounds (fcc AcBeH8, AcBeH10, AcBeH12 and AcBe2H16). All of them are superconductors. In particular, fcc AcBeH8 remains dynamically stable down to 10 GPa, where it exhibits a superconducting-transition temperature Tc of 181 K. The Be–H bonds are responsible for the exceptional properties of these ternary compounds and allow them to remain dynamically stable close to ambient pressure. Our results suggest that high-Tc superconductivity in hydrides is achievable at low pressure and may stimulate experimental synthesis of ternary hydrides.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
AcBe2H10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	200 GPa	unknown
AcBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	200 GPa	unknown
AcBe2H14 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	200 GPa	unknown
AcBe2H16 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	150	200 GPa	unknown
AcBeH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	165	300 GPa	unknown
AcBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	181	10 GPa	unknown
SH3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	200	155 GPa	unknown
LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	260	170 GPa	unknown
CaH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	215	160 GPa	unknown
YH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	220	166 GPa	unknown
YH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	243	182 GPa	unknown
Li2MgH16 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	473	250 GPa	unknown
YCeH20 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	246	350 GPa	unknown
LaCeH20 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	233	250 GPa	unknown
(La,Y)H10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	253	183 GPa	unknown
CaBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	254	210 GPa	unknown
LaBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	110	80 GPa	unknown
(La,Ce)H9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	48	92 GPa	unknown
(La,Nd)H10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	148	180 GPa	unknown
LaBH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	126	50 GPa	unknown
YBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	249	100 GPa	unknown
AcH16 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	241	150 GPa	unknown