Comparative Study of Electronic structure of New Superconductors (Sr,Ca)Pd2As2 and related compound BaPd2As2

Abstract

This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite chemical formula looks similar to iron superconductors and even main structural motif is the same - layers of Fe square lattices, electronic structure of (Sr,Ca)Pd2As2 and BaPd2As2 differs from Fe(As,Se)-HTSC completely. All these systems have essentially three dimensional Fermi surfaces in contrast to Fe(As,Se) materials. The Fermi level is crossed by low intensive tails of Pd-4d and As-4p states. However (Sr,Ca)Pd2As2 and BaPd2As2 materials have rather well developed peaks of Pd-4d(x2-y2) band. Thus by doping of about 2 holes per unit cell one can increase density of states at the Fermi level by a factor about 2.5. Since experimentally these compounds were found to be simple BCS superconductors the hole doping may considerably increase Tc. LDA calculated total densities of states at the Fermi level for stoichiometric systems perfectly agree with experimental estimates signifying rather small role of electronic correlations.

4 pages, 4 figures

References in corpus (21)

• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• Gap symmetry and structure of Fe-based superconductors
• Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
• To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report
• Electronic Structure and Doping in BaFe${}_2$As${}_2$ and LiFeAs: Density Functional Calculations
• High - Temperature Superconductivity in Iron Based Layered Compounds
• Electronic Structure of Prototype AFe_2As_2 and ReOFeAs High-Temperature Superconductors: a Comparison
• Density functional study of BaNi${}_2$As${}_2$: Electronic structure, phonons and electron-phonon superconductivity
• Normal State Correlated Electronic Structure of Iron Pnictides
• Electronic Structure of New LiFeAs High-Tc Superconductor
• Electronic structure and Fermi surface of new K intercalated iron selenide superconductor KxFe2Se2
• High Temperature Superconductivity in Transition Metal Oxypnictides: a Rare-Earth Puzzle?
• Electronic structure of oxygen-free 38K superconductor Ba1-xKxFe2As2 in comparison with BaFe2As2 from first principles
• Electronic Structure, Topological Phase Transitions and Superconductivity in (K,Cs)xFe2Se2
• Anion height dependence of Tc and density of states in iron based superconductors
• Iron Based Superconductors: Pnictides versus Chalcogenides
• Electronic structure of BaNi${}_2$As${}_2$
• Electronic and Magnetic Structure of Possible Iron Based Superconductor BaFe2Se3
• Electronic Structure of New Multiple Band Pt-Pnictide Superconductors APt3P
• Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors
• Novel multiple-band superconductor SrPt2As2

Cited by in corpus (4)

• Volovik Effect and Fermi-Liquid Behavior in the s-Wave Superconductor CaPd2As2: 75As NMR-NQR Measurements
• Electronic structure of iron-based superconductors: from pnictides to chalcogenides and other similar systems
• High-pressure effects on isotropic superconductivity in the iron-free layered pnictide superconductor BaPd2As2
• Strong-Coupling Superconductivity in BaPd2As2 Induced by Soft Phonons in the ThCr2Si2-type Polymorph