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Wurtzite-derived ternary I – III – O 2 semiconductors

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ABSTRACT

Ternary zincblende-derived I–III–VI2 chalcogenide and II–IV–V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I–III–O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and the band gap of ZnO can be controlled to include the visible and ultraviolet regions. β-CuGaO2, which has a direct band gap of 1.47 eV, has been proposed for use as a light absorber in thin film solar cells. These ternary oxides may thus allow new applications for oxide semiconductors. However, information about wurtzite-derived ternary I–III–O2 semiconductors is still limited. In this paper we review previous studies on β-LiGaO2, β-AgGaO2 and β-CuGaO2 to determine guiding principles for the development of wurtzite-derived I–III–O2 semiconductors.

No MeSH data available.


Electronic band structure of wurtzite-derived β-CuGaO2 calculated using the sX-LDA functional. (a) The band structure along the symmetry line and (b) the corresponding total and partial density of states.
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Figure 7: Electronic band structure of wurtzite-derived β-CuGaO2 calculated using the sX-LDA functional. (a) The band structure along the symmetry line and (b) the corresponding total and partial density of states.

Mentions: Theoretical calculations of the electronic band structure, as shown in figure 7, indicate that β-CuGaO2 is a direct band gap semiconductor unlike β-AgGaO2 and β-AgAlO2 [29, 52]. The direct band gap and high density of states around the VBM because of the significant contribution of Cu 3d states enables the intense absorption of light. Because β-CuGaO2 possesses these optical features and its band gap matches the band gap required to achieve the theoretical maximum conversion efficiency for a single-junction solar cell, as shown in the inset of Figure 6 [63], it is a promising light absorbing material in thin-film solar cells, similar to CdTe and Cu(In,Ga)Se2.


Wurtzite-derived ternary I – III – O 2 semiconductors
Electronic band structure of wurtzite-derived β-CuGaO2 calculated using the sX-LDA functional. (a) The band structure along the symmetry line and (b) the corresponding total and partial density of states.
© Copyright Policy - open-access
Related In: Results  -  Collection

License 1 - License 2
Show All Figures
getmorefigures.php?uid=PMC5036475&req=5

Figure 7: Electronic band structure of wurtzite-derived β-CuGaO2 calculated using the sX-LDA functional. (a) The band structure along the symmetry line and (b) the corresponding total and partial density of states.
Mentions: Theoretical calculations of the electronic band structure, as shown in figure 7, indicate that β-CuGaO2 is a direct band gap semiconductor unlike β-AgGaO2 and β-AgAlO2 [29, 52]. The direct band gap and high density of states around the VBM because of the significant contribution of Cu 3d states enables the intense absorption of light. Because β-CuGaO2 possesses these optical features and its band gap matches the band gap required to achieve the theoretical maximum conversion efficiency for a single-junction solar cell, as shown in the inset of Figure 6 [63], it is a promising light absorbing material in thin-film solar cells, similar to CdTe and Cu(In,Ga)Se2.

View Article: PubMed Central - PubMed

ABSTRACT

Ternary zincblende-derived I–III–VI2 chalcogenide and II–IV–V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I–III–O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and the band gap of ZnO can be controlled to include the visible and ultraviolet regions. β-CuGaO2, which has a direct band gap of 1.47 eV, has been proposed for use as a light absorber in thin film solar cells. These ternary oxides may thus allow new applications for oxide semiconductors. However, information about wurtzite-derived ternary I–III–O2 semiconductors is still limited. In this paper we review previous studies on β-LiGaO2, β-AgGaO2 and β-CuGaO2 to determine guiding principles for the development of wurtzite-derived I–III–O2 semiconductors.

No MeSH data available.