Theoretical study on electronic and optical properties of Zn-doped In0.25Ga0.75As photocathodes

Jin, Muchun; Chang, Benkang; Guo, Jing; Cheng, Hansong

doi:10.1007/s10043-015-0167-5

Cited by 2 publications

(1 citation statement)

References 22 publications

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“…[42][43][44][45][46] In this sense, a high bond population value indicates a strong bond, whereas low values are characteristics of weak interactions. Mulliken bond population can be used to analyze the compactness of each interface by analyzing Mulliken population value in the interface sites.…”

Section: Mulliken Bond Populationmentioning

confidence: 99%

The study about the resistive switching based on graphene/NiO interfaces

Dai

Zhang

et al. 2017

AIP Advances

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Six different interfaces namely, armchair Graphene (aGNR), zigzag Graphene (zGNR), and surface defect zigzag Graphene (zGNR1) nanoribbons with uni- and bi-laminar <001>-oriented NiO were studied. First, the Mulliken mean and difference populations, the interface energy, and the interface adhesion energy were calculated by the Cambridge sequential total energy package (CASTEP). The aGNR/NiO interface showed higher interface adhesion energy and Mulliken population mean as compared to the other interface structures (i.e., aGNR/NiO was more compact than the rest of interfaces). Moreover, the lowest interface energy and Mulliken difference population values along with the negligible aberration state clearly revealed aGNR/NiO to be the best interface among those studied herein. Subsequently, the current–voltage (I–V) curves indicate the aGNR/NiO/aGNR device presents memory effect while tracing the path back in the current data, but not switching between positive and negative voltages due to the device unipolar behavior. The mechanism of resistive switching is demonstrated by performing density functional tight binding and much more (DFTB+) dynamics.

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Section: Mulliken Bond Populationmentioning

confidence: 99%