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Symmetry breaking induced by the in-plane strain not only modulates the band structure, but also changes the carrier population at the valence band maximum and conduction band minimum so that the transport current density can be regulated.
Therefore, on both sides of the valence band maximum and conduction band minimum, an energy tail is formed.
Our calculated band gap is 1.70 eV with the valence band maximum and conduction band minimum both locating at Κ point.
Alternatively, the wide-gap semiconductor ZnO was also investigated, since the band gap and the energetic position of the valence band maximum and conduction band minimum of ZnO are very close to that of TiO2[9].
From both UV-visible and XPS spectroscopy, it was found that the mechanism for band gap narrowing was due to the shifting of the valance band maximum and conduction band minimum of the materials.
Wide-gap semiconductor ZnO was also investigated, since the band gap and the energetic position of the valence band maximum and conduction band minimum of ZnO are very close to those of TiO2[9].
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b is the structures of valence-band maximum and conduction-band minimum of TlPbI3 and CsPbI3.
Here, we select the valence-band maximum and conduction-band minimum for further analysis.
The profiles of the O 1s core level, valence-band maximum, and conduction-band minimum are shown in the conceptual diagram.
As expressed in formula (4), effective mass of holes and electrons can be obtained by calculating the two derivatives of valence-band maximum and conduction-band bottom.
Absolute valence band maxima and conduction band minima were obtained by calculating the difference between the highest occupied and lowest unoccupied one-electron eigenvalues and a reference vacuum potential.
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