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次へ: current 上へ: total charge 戻る: in the non-equilibrium

in the non-equilibrium, TRANSIESTA's approach

From eqs.(93) and (98),

$\displaystyle \rho_{ij}$ $\textstyle =$ $\displaystyle \int_{-\infty}^{\infty} d\omega \; \rho^L_{ij}(\omega ) f(\omega -\mu_L) +
\int_{-\infty}^{\infty} d\omega \; \rho^R_{ij}(\omega ) f(\omega -\mu_R)$ (100)
  $\textstyle =$ $\displaystyle \int_{-\infty}^{\infty} d\omega \; \left( \rho^L_{ij}(\omega ) + \rho^R_{ij}(\omega ) \right) f(\omega -\mu_R)$ (101)
    $\displaystyle + \int_{-\infty}^{\infty} d\omega \; \rho^L_{ij}(\omega ) \left( f(\omega -\mu_L) - f(\omega -\mu_R) \right)$ (102)

Assuming $\mu_L > \mu_R$, we can replace $ \rho^L_{ij}(\omega ) + \rho^R_{ij}(\omega ) $ with $A(\omega )$ for $\omega \le \mu_R$.
$\displaystyle \rho_{ij}$ $\textstyle =$ $\displaystyle \int_{-\infty}^{\infty} d\omega \; A(\omega ) f(\omega -\mu_R)$ (103)
    $\displaystyle + \int_{-\infty}^{\infty} d\omega \; \rho^L_{ij}(\omega ) \left( f(\omega -\mu_L) - f(\omega -\mu_R) \right)$ (104)

We evaluate the first term in eq.(84). $\rho^L(\omega )$ in the second term is not analytical.



kino 平成18年4月17日