Prediction of high-Tc superconductivity in H6SX(X=Cl,Br) at pressures below one megabar
Yu-Long Hai, Hui-Li Tian, Meng-Jing Jiang, Han-Bin Ding, Yu-Jie Feng, Guo-Hua Zhong, Chun-Lei Yang, Xiao-Jia Chen, Hai-Qing Lin
DOI 10.1103/PhysRevB.105.L180508 · Physical Review B
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Abstract
After the discovery of near room-temperature superconductivity in superhydrides at extremely high pressure close to 300 GPa, there is increasing interest in finding superconducting systems to maintain the similar superconductivity but at pressures below megabar. To examine such a possibility in metal-free hydrides, we investigate the thermodynamical stability and dynamical stability, electronic structures, and electron-phonon interactions of H6SX (X= Cl and Br) from the theoretical viewpoint. The results show that H6SCl and H6SBr are potential superconductors with the transition temperatures of 155.4 K at 90 GPa and 136 K at 140 GPa, respectively. Remarkably, H6SCl can be stabilized at the pressure above 82.5 GPa but maintain the superconducting transition above 150 K. Compared with H3S, the substitution of S by Cl with lower electronic energy states leads to the enhancement of Cl-H covalent bonding. As a result, the stable pressure of H3S-like superconductors is substantially reduced below 100 GPa but the transition temperature can be maintained as high as 150 K.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| H6SCl Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 155.4 | 90 GPa | unknown |
| H6SBr Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 136 | 140 GPa | unknown |
| H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 220 | 200 GPa | unknown |
| H3Se Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 120 | 120 GPa | unknown |
| H4Te Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 104 | 170 GPa | unknown |
| H3S0.925P0.075 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 241 | 150 GPa | unknown |
| H3S0.925P0.075 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 280 | 250 GPa | unknown |
| H3S0.875P0.125 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 215 | 200 GPa | unknown |
| H6SP Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 160 | 200 GPa | unknown |
| H6SSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 182 | 200 GPa | unknown |
| H6SBr Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 174 | 150 GPa | unknown |
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