Charge and orbital ordering in Na0.5CoO2 |
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Authors: | H.X. Yang |
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Affiliation: | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100080, PR China |
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Abstract: | The ground state of Na0.5CoO2 has been calculated using the full potential local orbital method and local density approximation plus Hubbard U ( ); the results demonstrate that charge and orbital ordering evidently exist in the present system in association with the antiferromagnetic state. Notable structural features observed between 300 and 30 K have been carefully examined using in situ TEM investigations, a superstructure with a wave vector of Q1=a∗/2, becoming commonly visible below , can be interpreted as the charge/orbital ordering on the Co1 and Co2 sites. Moreover, we have also observed another notable superstructure with Q2=a∗/4 below the phase transition of , which suggests a more complicated orbital ordered state existing at lower temperatures. |
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Keywords: | 71.27.+a 71.70.Ej 61.14.-x 64.60.-i |
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