TY - JOUR
T1 - First-principles investigation of the superconducting properties of MgXB4 (X = Al, Li, Na, K)
AU - Li, Yongbo
AU - Chen, Honggang
AU - Han, Guangyu
AU - Zhao, Xiaopeng
N1 - Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2020/10/15
Y1 - 2020/10/15
N2 - The discovery of superconductivity of MgB2 has attracted considerable research attention. Further exploration and discovery of MgB2-like superconductors are important to determine the properties of MgB2 and enhance our understanding of the superconducting mechanism. Four MgB2-like MgXB4 (X = Al, Li, Na, K) superconductors based on an MgB2 structure were designed in this study. The electronic structure, phonon dispersion relationship, Eliashberg spectral function, electron-phonon coupling constant (λ), and superconductivity of MgXB4 were investigated using a first-principles approach. The results indicated that MgXB4 (X = Al, Li, Na, K) were dynamically stable and demonstrated metallic characteristics. Further study of the Eliashberg spectral function and electron-phonon coupling constant indicated that these compounds were superconductors. The calculated superconducting transition temperatures (TC) of MgXB4 (X = Al, Li, Na, K) were 0.12, 22.7, 28.1, and 30.4 K, respectively.
AB - The discovery of superconductivity of MgB2 has attracted considerable research attention. Further exploration and discovery of MgB2-like superconductors are important to determine the properties of MgB2 and enhance our understanding of the superconducting mechanism. Four MgB2-like MgXB4 (X = Al, Li, Na, K) superconductors based on an MgB2 structure were designed in this study. The electronic structure, phonon dispersion relationship, Eliashberg spectral function, electron-phonon coupling constant (λ), and superconductivity of MgXB4 were investigated using a first-principles approach. The results indicated that MgXB4 (X = Al, Li, Na, K) were dynamically stable and demonstrated metallic characteristics. Further study of the Eliashberg spectral function and electron-phonon coupling constant indicated that these compounds were superconductors. The calculated superconducting transition temperatures (TC) of MgXB4 (X = Al, Li, Na, K) were 0.12, 22.7, 28.1, and 30.4 K, respectively.
KW - Density functional theory
KW - First-principles
KW - MgB-like superconductors
KW - T
UR - http://www.scopus.com/inward/record.url?scp=85087952262&partnerID=8YFLogxK
U2 - 10.1016/j.physc.2020.1353732
DO - 10.1016/j.physc.2020.1353732
M3 - 文章
AN - SCOPUS:85087952262
SN - 0921-4534
VL - 577
JO - Physica C: Superconductivity and its Applications
JF - Physica C: Superconductivity and its Applications
M1 - 1353732
ER -