Oxygen vacancies on MgO(100)

Castanier, E.; Noguera, Claudine

doi:10.1016/0039-6028(96)00305-6

Cited by 42 publications

(20 citation statements)

References 45 publications

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“…This is in agreement with our previous calculations on the MgO bulk-like nanosurface, which also predicted higher oxygen defect formation energy for higher coordinated sites [45]. Similarly, ab initio studies [71][72][73] dealing with the relative stability of different oxygen vacancy sites also predicted the defect formation energy order as…”

Section: Formation Of Defects In the Mgo Nanotubesupporting

confidence: 89%

Adsorption of sarin on MgO nanotubes: Role of doped and defect sites

Sharma

Kakkar

2015

Journal of Computational Science

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Section: Formation Of Defects In the Mgo Nanotubesupporting

confidence: 89%

Adsorption of sarin on MgO nanotubes: Role of doped and defect sites

Sharma

Kakkar

2015

Journal of Computational Science

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“…Their effective atomic levels are shifted towards low energies (3s levels) or high energies (3p levels), indicating a splitting of the conduction band and the presence of a gap state. The Fermi level is pinned on this gap state, which is partly filled except when all oxygen have left the surface [44].…”

Section: Resultsmentioning

confidence: 98%

Spray pyrolysis deposition and characterization of highly (100) oriented magnesium oxide thin films

Raj¹,

Nehru

Jayachandran

et al. 2007

Cryst. Res. Technol.

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Transparent dielectric thin films of MgO has been deposited on quartz substrates at different temperatures between 400 and 600°C by a pneumatic spray pyrolysis technique using Mg(CH 3 COO) 2 .4H 2 O as a single molecular precursor. The thermal behavior of the precursor magnesium acetate is described in the results of thermogravimetry analysis (TGA) and differential thermal analysis (DTA). The prepared films are reproducible, adherent to the substrate, pinhole free and uniform. Amongst the different spray process parameters, the substrate temperature effect has been optimized for obtaining single crystalline and transparent MgO thin films. The films crystallize in a cubic structure and X-ray diffraction measurements have shown that the polycrystalline MgO films prepared at 500°C with (100) and (110) orientations are changed to (100) preferred orientation at 600°C. The MgO phase formation was also confirmed with the recorded Fourier Transform Infrared (FTIR) results. The films deposited at 600°C exhibited highest optical transmittivity (>80%) and the direct band gap energy was found to vary from 4.50 to 5.25 eV with a rise in substrate temperature from 500 to 600°C. The measured sheet resistance and the resistivity of the film prepared at 600°C were respectively 10 13 Ω/□ and 2.06x107 Ω cm. The surface morphology of the prepared MgO thin films was examined by atomic force microscopy.

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“…The F nþ S centers As a test of the reliability of the methods used we have considered the properties of the neutral oxygen vacancy computed in the two approaches, cluster and slab. This center has been the subject of several theoretical investigations [41][42][43][44][45]. The formation energy is defined as E f ðF S Þ ¼ ÀEðMgO; regularÞ þ EðO; 3 PÞ þ EðMgO; F S Þ.…”

Section: Resultsmentioning

confidence: 99%

“…The electronic structure is characterized by the presence of two electrons trapped in the cavity, Fig. 2 [41][42][43][44]. The two electrons are associated to an energy state in the gap of the material.…”

Section: Resultsmentioning

confidence: 99%