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Title: Change in the electrical conductivity of SnO2 crystal from n-type to p-type conductivity
Authors: Villamagua Conza, L.
Carini, M.
Liu, Y.
Liu, C.
Lee, P.
Stashans, A.
Keywords: Crystal structure 2017-06-16T22:02:45Z
Issue Date: 2015-05-01
Publisher: Chemical Physics
Abstract: The long-sought fully transparent technology will not come true if the n region of the p-n junction does not get as well developed as its p counterpart. Both experimental and theoretical efforts have to be used to study and discover phenomena occurring at the microscopic level in SnO2 systems. In the present paper, using the DFT + U approach as a main tool and the Vienna ab initio Simulation Package (VASP) we reproduce both intrinsic n-type as well as p-type conductivity in concordance to results observed in real samples of SnO2 material. Initially, an oxygen vacancy (1.56 mol% concentration) combined with a tin-interstitial (1.56 mol% concentration) scheme was used to achieve the n-type electrical conductivity. Later, to attain the p-type conductivity, crystal already possessing n-type conductivity, was codoped with nitrogen (1.56 mol% concentration) and aluminium (12.48 mol% concentration) impurities. Detailed explanation of structural changes endured by the geometry of the crystal as well as the changes in its electrical properties has been obtained. Our experimental data to a very good extent matches with the results found in the DFT + U modelling. (C) 2015 Elsevier B.V. All rights reserved.
metadata.dc.identifier.other: 10.1016/j.chemphys.2015.03.002
ISBN: 3010104
Other Identifiers: 10.1016/j.chemphys.2015.03.002
Other Identifiers: 10.1016/j.chemphys.2015.03.002
metadata.dc.language: Inglés
metadata.dc.type: Article
Appears in Collections:Artículos de revistas Científicas

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