In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 40, No. 5R ( 2001-05-01), p. 3231-
Abstract:
Electronic structures of Sn-doped In 2 O 3 (ITO) have been investigated for the first time by using a first-principles calculation method based on the density functional theory. Calculated partial density of states (PDOS) analyses showed that a Sn atom substituted for an indium one formed three impurity bands with s-like symmetry, the second band of the three bands overlapped the conduction band of In 2 O 3 , and the Fermi energy of ITO was captured in this impurity band. The PDOS analyses also revealed that the substitution of a Sn atom did not significantly destroy the shape of density of states around the bottom of the conduction band, which gave a physical foundation for the Burstein-Möss shift model used up to now. Carrier generation mechanism and past experimental results, such as those of X-ray photoelectron spectroscopy, temperature dependency of electrical conductivity and carrier-concentration dependency of optical effective mass of ITO, are discussed based on the present theoretical calculation results.
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
DOI:
10.1143/JJAP.40.3231
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2001
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7
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