论文标题
在三元金属二贝曲德的强phonon耦合的高通量筛选
High-throughput screening of strong electron-phonon couplings in ternary metal diborides
论文作者
论文摘要
我们对语音介导的超导性超导性进行高通量筛选，该超导能力用碱，碱土和过渡金属进行三元金属二吡啶结构。我们发现17个基础状态和78个低能量亚稳态阶段。通过快速计算区中心电子 - 波耦合，揭示了43种化合物，显示电子偶联强度高于MGB2。确定了能量稳定性与电子 - 音波耦合强度之间的抗相关性。我们建议合成两个阶段，即Li3ZRB8和CA3YB8，它们显示出合理的能量稳定性和超导临界温度。
We perform a high-throughput screening on phonon-mediated superconductivity in ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground states and 78 low-energy metastable phases. From fast calculations of zone-center electron-phonon coupling, 43 compounds are revealed to show electron-phonon coupling strength higher than that of MgB2. An anti-correlation between energetic stability and electron-phonon coupling strength is identified. We suggest two phases, i.e., Li3ZrB8 and Ca3YB8, to be synthesized, which show reasonable energetic stability and superconducting critical temperature.
