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Title: Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity
Authors: Stashans, A.
Villamagua Conza, L.
Keywords: SnO2
DFT 2016-11-14
Publisher: AIP Advances
Abstract: We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at different positions within the crystalline lattice in order to find out the equilibrium configurations and to analyze corresponding density of states (DOS) patterns along with the electron localization function (ELF). It has been demonstrated that hydrogen could be solely responsible for the n-type conductivity whereas the oxygen vacancy appears to have not a notable influence upon it. The computational analysis is backed up by some experimental data for undoped tin dioxide
metadata.dc.identifier.other: doi: 10.1063/1.4968832
ISBN: 21583226
Other Identifiers: doi: 10.1063/1.4968832
Other Identifiers: doi: 10.1063/1.4968832
metadata.dc.language: Inglés
metadata.dc.type: Article
Appears in Collections:Artículos de revistas Científicas

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