.png){kind=icon}
.png){kind=icon}
Return
Superconductivity in Layered MB2C4 (M = Pb; Sc; Tc; Re; and Fe)
.png){kind=icon}
PRE
AI
D
Y
H
C
K
F
X
Z
Y
J
DOI：10.1021/acs.jpcc.6c02100.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
Stimulated by recently reported high-critical-temperature (Tc) intercalated layered MB3C3 (M = Mg, Ca, Sr, Sc, Y, and Ti) and XB2C2 (X = Li, Na, K, Ca, Sr, La and Cu), where σ bands provide superconducting carriers (paired electrons), we investigate a new class of MB2C4 (M = Pb, Sc, Tc, Re, and Fe) systems based on first-principles calculations. In these compounds, B and C atoms form sp2-hybridized honeycomb layers, with M atoms acting as electron donors in the interlayers. Our calculations suggest that all MB2C4 are excellent metallic conductors. Importantly, except for FeB2C4, all compounds are phonon-mediated superconductors at ambient pressure, with Tc ranging from 0.6 to 3.3 K. Remarkably, ReB2C4 exhibits the highest Tc of 3.3 K, owing to the large electronic density of states (eDOS) dominated by d electrons near the Fermi level (FL). Intriguingly, the magnetism of FeB2C4 is induced by d electrons, which may act as a suppressing factor rather than the definitive reason for the absence of superconductivity (SC).
Keywords:
Anions
Phonons
Superconductivity
Superconductors
Thermodynamic properties
Journal
T
IF:
3.2
Papers:
1.2K
Citations:
4
Organization
Cited Papers