First-principles calculations were carried out to calculate the formation energy, migration barrier and electronic properties of a resistive memory model based on hexagonal boron nitride (h-BN) in the presence of an active metal and a boron vacancy (VB) using density functional theory (DFT). Following the benchmark of the exchange correlation functional and the calculated parameters of monolayer h-BN, a model of a multilayer h-BN vertical stack with distribution states of SW-5577 defects was proposed. For four active metal dopants (Ti, Ag, Cu and Ni), a preference towards substitution sites (S1) with the lowest dopant formation energies (DFEs) was identified, which enhanced the formation of adjacent VB, especially for the nearest neighbour. Furthermore, a low concentration of Ti dopant in the closest location to the initial position of the migration path would drastically reduce the migration barrier of the VB between layers. Finally, Ti dopants with two and three VB neighbours in the same layer significantly improved the conductivity and the formation of conducting channels because of the improvement of charge distribution in the resistance model, which was demonstrated by DOS plots, banddecomposed charge density and Bader charge. Our present work can provide theoretical guidance for the rational design and device optimization of h-BN-based RRAM devices.
机构:
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Arshad, Norsuhaidah
;
Haron, Nor Zaidi
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Univ Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Haron, Nor Zaidi
;
Zakaria, Zahriladha
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Univ Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
机构:
Univ Montpellier, CNRS, UMR 5221, Lab Charles Coulomb L2C, F-34095 Montpellier, FranceUniv Montpellier, CNRS, UMR 5221, Lab Charles Coulomb L2C, F-34095 Montpellier, France
机构:
Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA
Stanford Univ, Stanford SystemX Alliance, Stanford, CA 94305 USA
GigaDevice Semicond Inc, Beijing, Peoples R ChinaStanford Univ, Dept Elect Engn, Stanford, CA 94305 USA
Chen, Hong-Yu
;
Brivio, Stefano
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CNR, IMM, Lab MDM, Via C Olivetti 2, I-20864 Agrate Brianza, ItalyStanford Univ, Dept Elect Engn, Stanford, CA 94305 USA
机构:
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Arshad, Norsuhaidah
;
Haron, Nor Zaidi
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h-index: 0
机构:
Univ Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Haron, Nor Zaidi
;
Zakaria, Zahriladha
论文数: 0引用数: 0
h-index: 0
机构:
Univ Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
Univ Teknikal Malaysia Melaka, Fac Elect & Comp Engn, Hang Tuah Jaya 76100, Melaka, MalaysiaUniv Teknikal Malaysia Melaka, Ctr Technol Res & Innovat, Hang Tuah Jaya 76100, Melaka, Malaysia
机构:
Univ Montpellier, CNRS, UMR 5221, Lab Charles Coulomb L2C, F-34095 Montpellier, FranceUniv Montpellier, CNRS, UMR 5221, Lab Charles Coulomb L2C, F-34095 Montpellier, France
机构:
Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA
Stanford Univ, Stanford SystemX Alliance, Stanford, CA 94305 USA
GigaDevice Semicond Inc, Beijing, Peoples R ChinaStanford Univ, Dept Elect Engn, Stanford, CA 94305 USA
Chen, Hong-Yu
;
Brivio, Stefano
论文数: 0引用数: 0
h-index: 0
机构:
CNR, IMM, Lab MDM, Via C Olivetti 2, I-20864 Agrate Brianza, ItalyStanford Univ, Dept Elect Engn, Stanford, CA 94305 USA