Abstract

<p indent=0mm>Electron-phonon interaction that couples the carriers for the Bose-Einstein condensation and the nature and configuration of the O−Cu chains and O−Cu planes that accommodate carriers are key issues to the cuprite high-<italic>T</italic><sub>C</sub> superconductivity discovered in 1986. However, the new kind of high-<italic>T</italic><sub>C</sub> superconductivity is beyond the description of the conventional Bardeen–Cooper–Schrieffer (BCS) theory. Here we address these two issues based on the bond order-length-strength correlation and nonbonding electron polarization (BOLS-NEP) notion for the effect of atomic undercoordination and the hydrogen bond (O:H−O equivalent of O:Cu−O) cooperativity and polarizability (HBCP) premise for water ice with involvement of electron lone pairs “:” interactions. First, a Cu<sup>p</sup>:O:Cu<sup>p</sup> dipolar chain is formed by connecting a series of tetrahedrons made of two Cu<sup>+</sup> ions and two Cu<sup>p</sup> dipoles surrounding the center O<sup>2–</sup>. The O−Cu(110) plane includes three sublayers. The first one is made of alternative rows of Cu<sup>0</sup> vacancies and the Cu<sup>p</sup>:O:Cu<sup>p</sup> dipolar chain with dipoles pointing out the surface; the second sublayer is formed by O<sup>2–</sup> whose lone pairs polarize the dipoles and squeeze out the missing rows of Cu atoms, and the third sublayer is made of Cu<sup>+</sup>. However, the O−Cu(001) plane shows a different manner of the sublayers. The first sublayer is made of Cu<sup>p</sup>, Cu<sup>0</sup>, and Cu<sup>2+</sup>, and the third sublayer of Cu<sup>+</sup> and Cu. The O<sup>2–</sup> bonds to the Cu<sup>+</sup> and polarizes the Cu to form the oppositely-coupled dipoles on the Cu(001) surface. The O−Cu bonding proceeds in four discrete stages: O<sup>2</sup> bonds to one Cu to form the Cu<sup>2+</sup>−2O<sup>–</sup> and then each O<sup>–</sup> bonds to its neighboring Cu in the second layer to form the twin tetrahedron with production of the lone pairs. The introduction of O to Cu host creates valence density features of the O−Cu bonding, lone pair nonbonding, the dipolar antibonding above <italic>E</italic><sub>F</sub>, and electron holes. Second, atomic undercoordination of the O−Cu chains and the O−Cu planes shortens and stiffens the local O−Cu bond and lengthens and weakens the O:Cu<sup>p</sup> nonbonding interactions associated with further enhancement of the Cu<sup>p</sup> dipoles polarization, this process is the same to the O:H−O bond relaxation and polarization occurred to the skins of water and ice. Last, the electron-phonon interaction is realized by the undercoordination-induced bond relaxation and the dual polarization by lone pairs and bond contraction. The dual polarization weakens the O:Cu<sup>p</sup> interactions and lowers its vibration frequency of the Cu<sup>p</sup>, reducing the effective mass of the Cu<sup>P</sup> electrons with high group velocity for carrier transport between the adjacent O−Cu planes that are made of atomic vacancies and dipoles. The self-entrapment of the core and bonding electrons, and the localized polarization and O:Cu<sup>p</sup> weakening may describe the effect electron-phonon coupling. The discovered “attraction force” between electrons along the Cu−O chain may fingerprint the effect of atomic undercoordination-induced bond contraction. The understandings of the dual polarization by oxidation and atomic undercoordination of carriers and the electron-phonon interaction may extend to devising the low-dimensional high-<italic>T</italic><sub>C</sub> superconductivity and the edge states polarization for the topological insulator superconductivity. The BOLS-NEP and HBCP regulations could be essential ingredients for the carrier generation and their interactions, which shall play certain substantial roles in the new types of superconductivity.

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