Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cuprate-like electronic properties in superlattices with Ag(II)F? square sheet.

ABSTRACT: Using the generalized gradient approximation augmented with maximally localized Wannier functions analysis, we present the formation of cuprate-like electronic structures in Ag(II)F2-related superlattices resulted from the confinement together with structural chemical modification. The out-of-plane electronic reconstruction leads to electron doping of AgF2 plane and gradually destablizes the antiferromagnetic state. Eventually a stable nonmagnetic metallic state emerges by applying in-plane tensile strain, in which the shape of effective Fermi surface of AgF2 plane exhibits the key feature of high-temperature cuprate superconductor.

SUBMITTER: Yang X

PROVIDER: S-EPMC4067610 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Cuprate-like electronic properties in superlattices with Ag(II)F₂ square sheet.

Yang Xiaoping X Su Haibin H

Scientific reports 20140624

Using the generalized gradient approximation augmented with maximally localized Wannier functions analysis, we present the formation of cuprate-like electronic structures in Ag(II)F2-related superlattices resulted from the confinement together with structural chemical modification. The out-of-plane electronic reconstruction leads to electron doping of AgF2 plane and gradually destablizes the antiferromagnetic state. Eventually a stable nonmagnetic metallic state emerges by applying in-plane tens ...[more]

PMID: 24957568

Similar Datasets

Superconductivity at Interfaces in Cuprate-Manganite Superlattices.

Project description:One of the unsolved problems for using high-Tc superconducting cuprates for spintronic applications are the short coherence lengths of Cooper pairs in oxides (a few Å), which requires atomically sharp and defect-free interfaces. This research demonstrates the presence of high-Tc superconducting La1.84 Sr0.16 CuO4 in direct proximity to SrLaMnO4 and provides evidence for the sharpness of interfaces between the cuprate and the manganite layers at the atomic scale. These findings shed light on the impact of the chemical potential at the interface of distinct materials on highly sensitive physical properties, such as superconductivity. Additionally, this results show the high stability of ultrathin layers from the same K2 NiF4 -type family, specifically one unit cell of Sr2- x Lax MnO4 and three unit cells of La1.84 Sr0.16 CuO4 . This work advances both the fundamental understanding of the proximity region between superconducting cuprates and manganite phases and the potential use of oxide-based materials in quantum computing.

| S-EPMC10375126 | biostudies-literature

Electronic Properties of Fluoride and Half-fluoride Superlattices KZnF3/KAgF3 and SrTiO3/KAgF3.

Project description:We present the formation of cupratelike electronic structures in KAgF3-related superlattices resulted from the confinement together with structural chemical modification by using the generalized gradient approximation augmented with maximally localized Wannier functions analysis. Strong antiferromagnetic coupling found in bulk KAgF3 is held in purely-fluoride KZnF3/KAgF3. Under 4% in-plane compression strain, its Fermi surface shape breaks away from the edge of electron pocket and resembles that of La2CuO4. While within half-fluoride SrTiO3/KAgF3, out-of-plane electronic reconstruction results in electron doping of AgF2 plane and antiferromagnetic state instability, and the Fermi surface shape presents considerable similarity to that in HgBaCuO4. These results shed light on two dimensional antiferromagnetic precursors of a new Ag(II) family of high-temperature superconductors.

| S-EPMC4626782 | biostudies-other

Bis(triphenyl-guanidinium) tetra-chlorido-cuprate(II).

Project description:The structure of the title compound, (C(19)H(18)N(3))(2)[CuCl(4)], consists of square-planar [CuCl(4)](2-) anions and triphenyl-guanidinium cations. The Cu(II) ion occupies a crystallographic inversion centre. In the cation, the dihedral angles between the phenyl rings and the plane defined by the central guanidinium fragment are in the range 51.9 (4)-64.4 (3)°. N-H⋯Cl hydrogen bonds assemble the ions into infinite chains running along the b axis.

| S-EPMC2961991 | biostudies-literature

Continuously tunable electronic structure of transition metal dichalcogenides superlattices.

Project description:Two dimensional transition metal dichalcogenides have very exciting properties for optoelectronic applications. In this work we theoretically investigate and predict that superlattices comprised of MoS2 and WSe2 multilayers possess continuously tunable electronic structure with direct bandgaps. The tunability is controlled by the thickness ratio of MoS2 versus WSe2 of the superlattice. When this ratio goes from 1:2 to 5:1, the dominant K-K direct bandgap is continuously tuned from 0.14 eV to 0.5 eV. The gap stays direct against -0.6% to 2% in-layer strain and up to -4.3% normal-layer compressive strain. The valance and conduction bands are spatially separated. These robust properties suggest that MoS2 and WSe2 multilayer superlattice should be a promising material for infrared optoelectronics.

| S-EPMC4326700 | biostudies-literature

Structural and electronic properties of graphene nanoflakes on Au(111) and Ag(111).

Project description:We investigate the electronic properties of graphene nanoflakes on Ag(111) and Au(111) surfaces by means of scanning tunneling microscopy and spectroscopy as well as density functional theory calculations. Quasiparticle interference mapping allows for the clear distinction of substrate-derived contributions in scattering and those originating from graphene nanoflakes. Our analysis shows that the parabolic dispersion of Au(111) and Ag(111) surface states remains unchanged with the band minimum shifted to higher energies for the regions of the metal surface covered by graphene, reflecting a rather weak interaction between graphene and the metal surface. The analysis of graphene-related scattering on single nanoflakes yields a linear dispersion relation E(k), with a slight p-doping for graphene/Au(111) and a larger n-doping for graphene/Ag(111). The obtained experimental data (doping level, band dispersions around EF, and Fermi velocity) are very well reproduced within DFT-D2/D3 approaches, which provide a detailed insight into the site-specific interaction between graphene and the underlying substrate.

| S-EPMC4802307 | biostudies-other

Bis(1-methyl-piperidinium) tetra-chlorido-cuprate(II).

Project description:The structure of the title compound, (C(6)H(14)N)(2)[CuCl(4)], consists of two inequivalent 1-methyl-piperidinium cations and a flattened tetra-hedral [CuCl(4)](2-) anion. Each organic cation exhibits a chair conformation with the methyl group in the equatorial position. They are segregated into alternating layers parallel to (100) and stacked along [100]. The first cation is arranged in parallel stacks in a herringbone pattern with rows of [CuCl(4)](2-) anions fitting between the stacks and with a Cl(-) ion directed into the inter-ior of the layer. The second organic cation forms distorted hcp layers that separate the other organic cation/[CuCl(4)](2-) slabs. N-H?Cl hydrogen bonding between the cations and the anions consolidates the crystal packing.

| S-EPMC3120374 | biostudies-literature

Tunability in the Optical and Electronic Properties of ZnSe Microspheres via Ag and Mn Doping.

Project description:ZnSe microspheres with various Ag and Mn doping levels were prepared by the hydrothermal method using Zn(NO3)2·6H2O and Na2SeO3 as precursors and N2H4·H2O as the reducing agent. The effects of Ag and Mn doping on the phase composition, morphology, and optical and electrical properties of the final products were systematically investigated. A remarkable change in morphology from microspheres with a cubic sphalerite structure to rodlike structure was observed by Ag doping, while the pristine structure was nearly unchanged via Mn doping. Moreover, the band gap of ZnSe microspheres could be tunable in a broad range via controlling the Ag and Mn doping concentration, and ZnSe with high electrical properties could be obtained by doping with an appropriate concentration. The first-principle plane-wave method was carried out to explain the above mentioned experimental results.

| S-EPMC6682095 | biostudies-literature

Bis(3-methyl-pyridinium) tetra-(chlorido/bromido)cuprate(II).

Project description:The structure of the title salt, (C(6)H(8)N)(2)[CuCl(3.4)Br(0.6)], consists of two 3-methyl-pyridinium cations and a distorted tetra-hedral [CuCl(3.4)Br(0.6)](2-) dianion. Substitutional disorder with Br is exhibited for three of the Cl atoms of the anion, giving a mixed chloride/bromide cuprate(II) anion. In the crystal, inter-molecular N-H?Cl hydrogen bonds link two cations to one anion, forming a three-ion aggregate. These are connected into a supra-molecular chain along the b axis via ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.743?(3)?Å].

| S-EPMC3120388 | biostudies-literature

Synthesis and Fluorescence Properties of Structurally Characterized Heterobimetalic Cu(II)⁻Na(I) Bis(salamo)-Based Complex Bearing Square Planar, Square Pyramid and Triangular Prism Geometries of Metal Centers.

Project description:A novel heterotrinuclear complex [Cu₂(L)Na(µ-NO₃)]∙CH₃OH∙CHCl₃ derived from a symmetric bis(salamo)-type tetraoxime H₄L having a naphthalenediol unit, was prepared and structurally characterized via means of elemental analyses, UV-Vis, FT-IR, fluorescent spectra and single-crystal X-ray diffraction. The heterobimetallic Cu(II)⁻Na(I) complex was acquired via the reaction of H₄L with 2 equivalents of Cu(NO₃)₂·2H₂O and 1 equivalent of NaOAc. Clearly, the heterotrinuclear Cu(II)⁻Na(I) complex has a 1:2:1 ligand-to-metal (Cu(II) and Na(I)) ratio. X-ray diffraction results exhibited the different geometric behaviors of the Na(I) and Cu(II) atoms in the heterotrinuclear complex; the both Cu(II) atoms are sited in the N₂O₂ coordination environments of fully deprotonated (L)4− unit. One Cu(II) atom (Cu1) is five-coordinated and possesses a geometry of slightly distorted square pyramid, while another Cu(II) atom (Cu2) is four-coordination possessing a square planar coordination geometry. Moreover, the Na(I) atom is in the O₆ cavity and adopts seven-coordination with a geometry of slightly distorted single triangular prism. In addition, there are abundant supramolecular interactions in the Cu(II)⁻Na(I) complex. The fluorescence spectra showed the Cu(II)⁻Na(I) complex possesses a significant fluorescent quenching and exhibited a hypsochromic-shift compared with the ligand H₄L.

| S-EPMC6102540 | biostudies-literature

Cuprate-like electronic structures in infinite-layer nickelates with substantial hole dopings

Project description: Not available

| S-EPMC11242455 | biostudies-literature