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Published on: March 24, 2019
Pressure-induced superconductivity in ternary yttrium borohydride systems.
Wen-Hua Yang1, Hui-Juan Sun1, Xia Wang1
1College of Physics and Centre for Theoretical and Computational Physics, college of computer science and technology, Qingdao University, Qingdao, Shandong 266071, P. R. China. yangwh@qdu.edu.cn.
Researchers explored ternary Y-B-H compounds for high-temperature superconductivity. They discovered stable phases and identified Yttrium-Boron-Hydride compounds superconducting at 50 GPa, with one phase reaching ~50 K.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- High-temperature superconductivity in hydrides is a rapidly advancing field.
- Ternary compounds offer potential for novel superconducting properties.
- Understanding structure-property relationships is crucial for discovering new superconductors.
Purpose of the Study:
- To systematically investigate ternary Yttrium-Boron-Hydride (Y-B-H) compounds.
- To predict stable phases, electronic properties, and superconductivity.
- To explore the role of Yttrium in stabilizing superconducting hydride phases.
Main Methods:
- Employed first-principles calculations.
- Utilized a genetic algorithm for comprehensive structure searching.
- Performed electron-phonon coupling calculations to predict superconducting behavior.
Main Results:
- Predicted five stable Y-B-H phases at specific pressures.
- Identified metallic phase C2-YB2H6 as dynamically and thermodynamically stable.
- Discovered YBH5 and YB2H12 phases exhibiting superconductivity at 50 GPa, with F4̄3m-YBH5 reaching ~50 K due to strong electron-phonon coupling.
Conclusions:
- Ternary Y-B-H compounds show promise for superconductivity.
- Yttrium addition significantly lowers stabilization pressure compared to binary systems.
- This research guides the search for conventional superconductors at lower pressures.
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