论文标题
硼碳系统中的高温常规超导性：材料趋势
High-Temperature Conventional Superconductivity in the Boron-Carbon system: Material Trends
论文作者
论文摘要
在这项工作中，我们使用AB-Initio筛选探测了硼碳系统中高温常规超导性的可能性。使用Minima跳跃方法生成了具有固定成分（50 $ \％$/50 $ \％$）的320个亚稳态结构的数据库，并以电子和振动描述符进行表征。对16个代表性结构进行的完整电子波计算允许识别$ t _ {\ textrm {c}} $的一般趋势，遍及能量环境中的四个家庭和内部，并基于近似$ t _ {\ textrm {c}} $ precedor构建基于近似可理解和易于计算的电子和vibrational和Vibrational和Vibrational和Vibrational和Vibrational and vibrational和Vibrational anderrice and predictor。基于这些，我们估计所有金属结构中约有10美元$ \％$应显示$ t _ {\ textrm {c}} $ 30 $ k $。这项工作是迈向新高$ t _ {\ textrm {c}} $超导体的Ab-Initio设计的第一步。
In this work we probe the possibility of high-temperature conventional superconductivity in the boron-carbon system, using ab-initio screening. A database of 320 metastable structures with fixed composition (50$\%$/50$\%$) is generated with the Minima-Hopping method, and characterized with electronic and vibrational descriptors. Full electron-phonon calculations on sixteen representative structures allow to identify general trends in $T_{\textrm{c}}$ across and within the four families in the energy landscape, and to construct an approximate $T_{\textrm{c}}$ predictor, based on transparently interpretable and easily computable electronic and vibrational descriptors. Based on these, we estimate that around 10$\%$ of all metallic structures should exhibit $T_{\textrm{c}}$'s above 30 $K$. This work is a first step towards ab-initio design of new high-$T_{\textrm{c}}$ superconductors.
