低维C60纳米阵列的室温超导性：从头算研究
Towards room-temperature superconductivity in low-dimensional C60 nanoarrays: An ab initio study
摘要：
我们建议通过增加费米能级$N(E_F)$的电子态密度，从而提高低维C $_{60}$纳米阵列中的电子-声子耦合常数，来提高掺杂C $_{60}$分子晶体中超导性的临界温度$T_c$。我们认为电子和空穴掺杂和目前的数值计算结果为$N(E_F)$，这增加了部分填充的$h_u$和$t_{1u}$衍生的前沿频带的带宽与C $_{60}$的配位数减少。鉴于$N(E_F)$的显著增加发生在掺杂的C $_{60}$的2D阵列插入石墨烯层之间，我们提出，接近室温的最高$T_c$值可能发生在由外部掺杂的C $_{60}$或La@C $_{60}$的1D阵列填充的纳米管束中，或在稀释的3D晶体中，其中C $_{60}$的准1D排列形成渗滤路径。
英文摘要：
We propose to raise the critical temperature $T_c$ for superconductivity in doped C$_{60}$ molecular crystals by increasing the electronic density of states at the Fermi level $N(E_F)$ and thus the electron-phonon coupling constant in low-dimensional C$_{60}$ nanoarrays. We consider both electron and hole doping and present numerical results for $N(E_F)$, which increases with decreasing bandwidth of the partly filled $h_u$ and $t_{1u}$ derived frontier bands with decreasing coordination number of C$_{60}$. Whereas a significant increase of $N(E_F)$ occurs in 2D arrays of doped C$_{60}$ intercalated in-between graphene layers, we propose that the highest $T_c$ values approaching room temperature may occur in bundles of nanotubes filled by 1D arrays of externally doped C$_{60}$ or La@C$_{60}$, or in diluted 3D crystals, where quasi-1D arrangements of C$_{60}$ form percolation paths.
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