中国物理B ›› 2019, Vol. 28 ›› Issue (10): 107104-107104.doi: 10.1088/1674-1056/ab4253
• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇 下一篇
Wenwen Cui(崔文文), Yinwei Li(李印威)
收稿日期:
2019-06-20
修回日期:
2019-09-05
出版日期:
2019-10-05
发布日期:
2019-10-05
通讯作者:
Yinwei Li
E-mail:yinwei_li@jsnu.edu.cn
基金资助:
Wenwen Cui(崔文文), Yinwei Li(李印威)
Received:
2019-06-20
Revised:
2019-09-05
Online:
2019-10-05
Published:
2019-10-05
Contact:
Yinwei Li
E-mail:yinwei_li@jsnu.edu.cn
Supported by:
摘要: Hydrogen-rich compounds are promising candidates for high-Tc or even room-temperature superconductors. The search for high-Tc hydrides poses a major experimental challenge because there are many known hydrides and even more unknown hydrides with unusual stoichiometries under high pressure. The combination of crystal structure prediction and first-principles calculations has played an important role in the search for high-Tc hydrides, especially in guiding experimental synthesis. Crystal structure AnaLYsis by Particle Swarm Optimization (CALYPSO) is one of the most efficient methods for predicting stable or metastable structures from the chemical composition alone. This review summarizes the superconducting hydrides predicted using CALYPSO. We focus on two breakthroughs toward room-temperature superconductors initiated by CALYPSO:the prediction of high-Tc superconductivity in compressed hydrogen sulfide and lanthanum hydrides, both of which have been confirmed experimentally and have set new record Tc values. We also address the challenges and outlook in this field.
中图分类号: (Density functional theory, local density approximation, gradient and other corrections)
崔文文, 李印威. The role of CALYPSO in the discovery of high-Tc hydrogen-rich superconductors[J]. 中国物理B, 2019, 28(10): 107104-107104.
Wenwen Cui(崔文文), Yinwei Li(李印威). The role of CALYPSO in the discovery of high-Tc hydrogen-rich superconductors[J]. Chin. Phys. B, 2019, 28(10): 107104-107104.
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