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  • AIP Publishing  (2)
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  • AIP Publishing  (2)
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  • 1
    Online Resource
    Online Resource
    AIP Publishing ; 2021
    In:  AIP Advances Vol. 11, No. 12 ( 2021-12-01)
    In: AIP Advances, AIP Publishing, Vol. 11, No. 12 ( 2021-12-01)
    Abstract: The formation energy of an oxygen vacancy and the diffusion barrier of an oxygen ion have a significant impact on the operating voltage and other parameters of resistive random access memory. In this research, n-type dopants and p-type dopants were, respectively, used to make comparative research on the formation energy of the oxygen vacancy and the diffusion barrier of the oxygen ion in orthorhombic λ-Ta2O5 taking first-principles methods. The band unfolding calculation results show that the donor level and acceptor level are, respectively, formed in the bandgap after the doping of W and Al. After the doping of Al, the formation energy of the oxygen vacancy decreases as the doping concentration increases. Instead, after the doping of W, the formation energy of the oxygen vacancy only undergoes an increase of 0.2 eV, and the diffusion barrier increases first and then decreases with the increase in the concentration of the doped W. After the doping of Al and W, the diffusion barriers of oxygen ions change within the ranges of 0.3–1.6 and 0.12–1.23 eV, respectively.
    Type of Medium: Online Resource
    ISSN: 2158-3226
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
    detail.hit.zdb_id: 2583909-3
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  • 2
    Online Resource
    Online Resource
    AIP Publishing ; 2019
    In:  Applied Physics Letters Vol. 114, No. 5 ( 2019-02-04)
    In: Applied Physics Letters, AIP Publishing, Vol. 114, No. 5 ( 2019-02-04)
    Abstract: Electronic structures and topological properties of silicene adsorbed with 5d transition metal atom Ta (silicene-Ta) are investigated by using the first-principles calculations. The Ta atom prefers to adsorb at the hollow site of silicene. We demonstrate that the quantum anomalous Hall (QAH) effect can be realized in the studied silicene-Ta system, whose Fermi level is found to be located exactly inside the spin-orbit coupling induced nontrivial bulk band gap. In addition, the heterostructure of silicene-Ta/BN is built and explored. By applying an external vertical electric field, the realized topologically nontrivial bulk band gap can be enlarged effectively. Our calculations show that the achieved QAH effect is robust against the Ta adatom adsorption coverage (∼1%–6%) and disorder, making the experimental observation highly flexible. Our findings will greatly promote the experimental realization and practical application of the QAH effect in silicene-based systems.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    RVK:
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2019
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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