First-Principles Calculations of Energy Band for Wurtzite ZnO under Uniaxial Loading along [0001] Direction
2014 ◽
Vol 633-634
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pp. 324-328
Keyword(s):
First-principles calculations are carried out to analyze the variation of the energy gap and the absolute value of the crystal-field splitting energy of wurtzite zinc oxide under uniaxial loading along [0001] direction. The uniaxial loading in [0001] direction is predicted to be more effective to adjust the energy gap than applying the hydrostatic pressure, without changing the direct energy-gap nature. The top of the valence band is sensitive to the uniaxial stress, and the absolute value of the crystal-field splitting energy reaches the minimum when the uniaxial stress is about 2 GPa. The variation in electronic properties originates mainly from the relatively lower density of the valence electrons inc-axis direction.
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2007 ◽
Vol 18
(S1)
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pp. 221-224
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1967 ◽
Vol 19
(25)
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pp. 1417-1420
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2004 ◽
Vol 106
(3-4)
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pp. 205-210
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1989 ◽
Vol 90
(10)
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pp. 5280-5283
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