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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 {pi} electrons around the {Gamma} 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.
Based on first-principles calculations, we reported that external pressure can induce topological phase transition in alkaline-earth hexaborides, XB6 (X=Ca, Sr, Ba). It was revealed that XB6 is transformed from trivial semiconductors to topological n
We discover superconductivity in alkali-earth metals doped phenanthrene. The superconducting critical temperatures emph{T}$_c$ are 5.6 K and 5.4 K for Sr$_{1.5}$phenanthrene and Ba$_{1.5}$phenanthrene, respectively. The shielding fraction of Ba$_{1.5
In this paper, we employ CASTEP based on DFT (density functional theory) calculations to investigate various physical properties of BaVO3, SrVO3, CaVO3 and PbVO3. The elastic constants, bulk modulus, Shear modulus, Youngs modulus, Pughs ratio, Poisso
New germanium-platinum compounds with the filled-skutterudite crystal structure were synthesized. The structure and composition were investigated by X-ray diffraction and microprobe analysis. Magnetic susceptibility, specific heat, and electrical res
We have successfully synthesized three quasi-2D geometrically frustrated magnetic compounds (alpha-MCr_2O_4, M=Ca, Sr, Ba) using the spark-plasma-sintering technique. All these members of the alpha-MCr_2O_4 family consist of the stacking planar trian