X-dependence of energy band structures and thermoelectricity of CeRu4X12 (X = P, As, Sb)

Shankar, A.; Mandal, Pradip; Thapa, R. K.

doi:10.1007/s10853-016-0446-y

Cited by 2 publications

(1 citation statement)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Filled skutterudite pnictides with the general formula LnT 4 X 12 (Ln = Lanthanide, T = Transition metal, X = Pnictogen) have received great attention since they exhibit a variety of individual properties, such as semiconducting [1][2][3][4], metal-insulator transition [5][6][7][8], different magnetic ordering [9][10][11][12][13][14], good thermoelectricity [15][16][17][18], heavy fermion behavior [19,20] and topological insulator behavior [21,22]. Furthermore, the La-based skutterudite compounds have received special interest due to their superconducting properties [23][24][25][26][27][28][29].…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of superconductivity mechanism in the filled skutterudites YRu4P12, YOs4P12, LaOs1P12 and LaOs4As12

Uzunok

Tütüncü

Karaca

et al. 2019

Journal of Physics and Chemistry of Solids

View full text Add to dashboard Cite

We have investigated the structural, electronic, phonon and electron-phonon interaction properties of the filled skutterudites YRu 4 P 12 , YOs 4 P 12 , LaOs 4 P 12 and LaOs 4 As 12 by utilizing the generalized gradient approximation of the density functional theory. It is found that the electronic states close to the Fermi energy are heavily contributed by the transition metal and pnictogen atoms, while the contribution of the filler atom (Y or La) to the occupied bands is negligible. Our electron-phonon calculations suggest that all these filled skutterudites are conventional phononmediated superconductors. The superconducting critical temperature is found to be 7.73, 2.67, 2.03 and 3.2 for YRu 4 P 12 , YOs 4 P 12 , LaOs 4 P 12 and LaOs 4 As 12 , respectively. These values are in good agreement with experimentally reported values of 8.5, 2.8, 2.0 and 3.2 K, respectively.

show abstract