Publications (2)3.46 Total impact
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Article: Calculation of Fermi Surface and Its Application to Li-Doped α-Boron
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ABSTRACT: An accurate calculation method for Fermi surfaces is presented in order to study the electronic doping effect to semiconductor α-boron. Given the eigenvalues of energy at a limited set of k points, the present interpolation method retains the original accuracy of the energy eigenvalues, which are provided by a band calculation program. A significant contribution of the present method is to eliminate spurious components in the interpolation which are present in other methods. This is achieved by removal of redundancy in the basis functions. An application is given for doped-semiconductor -boron, which has recently attracted a growing interest in connection to superconductivity research.Journal of Computational and Theoretical Nanoscience 11/2009; 6(12):2629-2634. · 0.91 Impact Factor -
Article: A new structure of Cu complex in Si and its photoluminescence.
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ABSTRACT: A recent discovery of complicated isotope shifts of the PL 1014 meV line in Cu-containing silicon, which was made by Thewalt's group, indicates that existing models of Cu pairs are not appropriate for accounting for the luminescence center. A new structural model has been studied. First-principles calculations show that the most probable form of the complex is a four-membered complex which is composed of a substitutional Cu associated with three neighboring interstitial Cu atoms. The symmetry is C(3v). The formation mechanism of this complex is discussed. For interpreting the complicated splitting for the Γ(4) exciton peak, involvement of a non-totally symmetric mode is proposed. The pattern of splitting obtained by this model is almost in agreement with the experiment. Selection rules beyond the usual treatments are necessary to connect a specific exciton peak to the corresponding phonon.Journal of Physics Condensed Matter 02/2009; 21(6):064249. · 2.55 Impact Factor
