论文标题
用碱 - 地球金属掺杂的单层H-BN中超导性的理论预测（CA，SR，BA）
Theoretical prediction of superconductivity in monolayer h-BN doped with alkaline-earth metals (Ca, Sr, Ba)
论文作者
论文摘要
我们研究了使用每个组1（LI，Na，K）和2组（BE，MG，CA，CA，SR，BA）通过AB-Initio计算，使用每个组1（LI，NA，K）和组-2（BE，MG，CA，SR，BA）掺杂的单层六角硼（H-BN）中超导性的可能性。因此，我们揭示了SR-和BA掺杂的单层H-BN和CA掺杂的单层H-BN，其拉伸应变在能量稳定上是稳定的，并且具有5.83 K，1.53 K，1.53 K和12.8 K的TC值分别为12.8 K，并且比CA-，SR，SR-，SR-，SR-，BA-DOPED均高于CA-，SR-SR-，SR-，Ba-dopeD。此外，动量分辨的电子偶联（EPC）常数表明，γ点围绕固有的π电子之间的散射占主导地位。散射过程是通过吸附物的低能振动介导的。此外，与石墨烯相比，H-BN中较强的吸附物 - 基底相互作用和较低的对称性对于增强掺杂H-BN的EPC至关重要。
We investigated the possibility of superconductivity in monolayer hexagonal boron nitride (h-BN) doped using each group-1 (Li, Na, K) and group-2 (Be, Mg, Ca, Sr, Ba) atom via ab-initio calculations. Consequently, we reveal that Sr- and Ba-doped monolayer h-BN and Ca-doped monolayer h-BN with 3.5% tensile strain are energetically stable and become superconductors with Tc values of 5.83 K, 1.53 K, and 12.8 K, respectively, which are considerably higher than those of Ca-, Sr-, and Ba-doped graphene. In addition, the momentum-resolved electron-phonon coupling (EPC) constant shows that the scattering among intrinsic π electrons around the Γ point dominates Tc. The scattering process is mediated by the low-energy vibration of the adsorbate. Moreover, compared with graphene, the stronger adsorbate-substrate interaction and lower symmetry in h-BN are critical for enhancing EPC in doped h-BN.
