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Ab Initio Computations of Electronic, Transport, and Structural Properties of zinc blende Beryllium Selenide (zb BeSe)

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Figure

Table 1. Previous, calculated, indirect band gaps of zb-BeSe and room temperature experi mental values
Table 2. Successive, self-consistent calculations of the BZW-EF method for zb-BeSe (Calculations I-IV) and additional, illustrative Calculations (II* & III*)
Figure 1. Electronic band structure of zb-BeSe as obtained from Calculations II (_) and III (- -), at an experimental lattice constant of 5.152 Å, using our BZW-EF method
Figure 3. Calculated, partial densities of states (pDOS) for zb-BeSe, as obtained from the bands in Figure 1
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