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Strong-correlated behavior of 4f electrons and 4f5d hybridization in PrO2.

ABSTRACT: Bringing oxygen atoms from infinite, passing equilibrium until short enough distances, we aim to reveal the 4f5d electron bonding property and its relevance to the peculiar physical properties within PrO2 based on both accounting for electron Coulomb repulsion and spin-orbit coupling effects in combination with Wannier function methods. The microscopic mechanism of static Janh-Teller distortions and the physical insight into the dynamic Jahn-Teller effects are clarified. Peculiarly, the magnetic coupling is suggested to be via 4f-5d-O2p-5d-4f pathway in PrO2, and the coupling between spin and orbital ordering of 4f electrons is for the first time disclosed. The 5d orbitals, hybridized with 4f electrons, are found to play important roles in these processes.

SUBMITTER: Zhang L

PROVIDER: S-EPMC6207729 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Strong-correlated behavior of 4f electrons and 4f5d hybridization in PrO<sub>2</sub>.

Zhang Lifang L Meng Junling J Yao Fen F Liu Xiaojuan X Meng Jian J Zhang Hongjie H

Scientific reports 20181030 1

Bringing oxygen atoms from infinite, passing equilibrium until short enough distances, we aim to reveal the 4f5d electron bonding property and its relevance to the peculiar physical properties within PrO<sub>2</sub> based on both accounting for electron Coulomb repulsion and spin-orbit coupling effects in combination with Wannier function methods. The microscopic mechanism of static Janh-Teller distortions and the physical insight into the dynamic Jahn-Teller effects are clarified. Peculiarly, t ...[more]

PMID: 30375440

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Project description:We developed general approach for the analysis of tunneling current and its zero frequency noise for a wide class of systems where electron transport occurs through the intermediate structure with localized electrons. Proposed approach opens the possibility to study electron transport through multi-electron correlated states and allows to reveal the influence of spatial and spin symmetry of the total system on the electron transport. This approach is based on Keldysh diagram technique in pseudo-particle representation taking into account the operator constraint on the number of pseudo-particles, which gives the possibility to exclude non-physical states. It was shown that spatial and spin symmetry of the total system can block some channels for electron transport through the correlated quantum dots. Moreover, it was demonstrated that the stationary tunneling current and zero frequency noise in correlated coupled quantum dots depend on initial state of the system. In the frame of the proposed approach it was also shown that for the parallel coupling of two correlated quantum dots to the reservoirs tunneling current and its zero frequency noise are suppressed if tunneling occurs through the entangled triplet state with zero total spin projection on the z axis or enhanced for the tunneling through the singlet state in comparison with electron transport through the uncorrelated localized single-electron state. Obtained results demonstrate that two-electron entangled states in correlated quantum dots give the possibility to tune the zero frequency noise amplitude by blocking some channels for electron transport that is very promising in the sense of two-electron entangled states application in quantum communication and logic devices. The obtained nonmonotonic behavior of Fano factor as a function of applied bias is the direct manifestation of the possibility to control the noise to signal ration in correlated quantum dots. We also provide detailed calculations of current and noise for both single type of carriers and two different types of carriers in the presence and in the absence of Coulomb interaction in Supplementary materials.

Dataset Information

Strong-correlated behavior of 4f electrons and 4f5d hybridization in PrO2.

Publications

Strong-correlated behavior of 4f electrons and 4f5d hybridization in PrO<sub>2</sub>.

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