Electronic structure of the 344-type superconductors La3(Ni;Pd)4(Si;Ge)4 by ab initio calculations

被引：12

作者：

Winiarski, M. J. ^{[1
]}

Samsel-Czekala, M. ^{[1
]}

机构：

[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw 2, Poland

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2013年 / 546卷

关键词：

Superconductors; Intermetallics; Rare earth alloys and compounds; Transition metal alloys and compounds; Electronic band structure; Electron-phonon interactions; CRYSTAL-STRUCTURE; BAND-STRUCTURE; MAGNETIC-PROPERTIES; FERMI-SURFACE; GERMANIDES; PALLADIUM;

D O I：

10.1016/j.jallcom.2012.08.074

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Electronic structures of superconducting ternaries: La3Ni4Si4, La3Ni4Ge4, La3Pd4Si4, La3Pd4Ge4, and their non-superconducting counterpart, La3Rh4Ge4, have been calculated employing the full-potential local-orbital method within the density functional theory. Our investigations were focused particularly on densities of states (DOSs) at the Fermi level with respect to previous experimental heat capacity data, and Fermi surfaces (FSs) being very similar for all considered here compounds. In each of these systems, the FS originating from several bands contains both holelike and electronlike sheets possessing different dimensionality, in particular quasi-two-dimensional cylinders with nesting properties. A comparative analysis of the DOSs and FSs in these 344-type systems as well as in nickel (oxy)pnictide and borocarbide superconductors indicates rather similar phonon mechanism of their superconductivity. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：124 / 128

页数：5

共 50 条

[21] Ab initio calculations of the electronic structure and specific optical features of β-LiNH4SO4 single crystals
Rudysh, M. Ya.
Brik, M. G.
Stadnyk, V. Yo.
Brezvin, R. S.
Shchepanskyi, P. A.
Fedorchuk, A.
Khyzhun, O. Y.
Kityk, I. V.
Piasecki, M.
PHYSICA B-CONDENSED MATTER, 2018, 528 : 37 - 46
[22] Electronic structure of Fe4Si4-xGex (x=0-4) compounds: ab initio calculation
Ameereh, G. I.
Hamad, B. A.
Khalifeh, J. M.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2009, 246 (01): : 129 - 134
[23] Electronic structure and optical absorption of the Bi4Ge3O12 and the Bi4Si3O12 scintillators in ultraviolet region: An ab initio study
Lima, A. F.
Souza, S. O.
Lalic, M. V.
JOURNAL OF APPLIED PHYSICS, 2009, 106 (01)
[24] Ab-Initio Calculations of a Refractory Ceramic (β-Ge3N4): A Computer Simulation
Xu Chao
Chen Dong
ADVANCED RESEARCH ON AUTOMATION, COMMUNICATION, ARCHITECTONICS AND MATERIALS, III, 2013, 738 : 18 - +
[25] Electronic structure of the heavy-fermion superconductor Ce 2Ni3Ge5 and its reference Ce2Ni 3Si5 compound by ab initio calculations
Samsel-Czeka&lstrok;a, M. (m.samsel@int.pan.wroc.pl), 1600, Elsevier Ltd (560):
[26] Superconductivity in the ternary intermetallics of La3Ni4X4 (X = Si and Ge)
Fujii, H.
Kasahara, S.
JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (07)
[27] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS .4. ELECTRONIC-STRUCTURE OF SYDNONES
PALMER, MH
JOURNAL OF MOLECULAR STRUCTURE, 1972, 12 (02) : 197 - &
[28] Ab Initio Study of the Electronic Structure and Lattice Dynamics of Scheelite Type AgTcO4
Mukherjee, Supratik
Mondal, Subrata
Kennedy, Brendan J.
Vaitheeswaran, Ganapathy
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2023, 260 (06):
[29] Ab initio study of the electronic and atomic structure of the wolframite-type ZnWO4
Kalinko, A.
Kuzmin, A.
Evarestov, R. A.
SOLID STATE COMMUNICATIONS, 2009, 149 (11-12) : 425 - 428
[30] Ab-initio calculations: structural, electronic and elastic properties of LiX2Ge (X: Rh, Cu, Ni, Pd) Heusler compounds
Ayhan, Seyfettin
Balci, Gulten Kavak
MATERIALS RESEARCH EXPRESS, 2019, 6 (08):

← 1 2 3 4 5 →