Relativistic Corrections to the Band Structure of Tetrahedrally Bonded Semiconductors

“…Regarding the Ga 0.5 Al 0.5 Sb alloy one observes that CBC shows the gap to be direct whereas the ZC shows the gap to be indirect having minimum in conduction band at the L point. The indirect nature and the magnitude of the gap is reasonably in agreement with the experimental data [16]. It is however worth mentioning that the experimental results are not clearly indicative of the minimal point of the conduction band which may be at L or X [16].…”

Section: Electronic Band Structure and Charge Density Of Alsbsupporting

confidence: 85%

“…The experimental gap reported by a number of workers varies in the range 0.72-1.00 eV which is in good agreement with all the calculations presented in table 2. Moreover, the direct band gap observed from all the calculations is well in accordance with the measurements [13,16]. For AlSb, one observes that the band gaps predicted by CBC and ZC are well within the experimental data.…”

Section: Electronic Band Structure and Charge Density Of Alsbsupporting

confidence: 85%

Charge density of Ga x Al1 − x Sb

Joshi

Patel

2008

Pramana - J Phys

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Charge density calculations and electronic band structures for GaxAl1−xSb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25A0 by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.

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“…Each of these bands furthermore splits due to spin±orbit interaction. The calculated spin±orbit splitting at Z amounts to 0.32 eV in both cases (for comparison, the spin±orbit splitting of Se 4p states in the free atom is 0.438 eV [40]). Thus, Se p x; y states give rise to the four bands at roughly 1 eV below the VB maximum at the Z-point.…”

Section: Effect Of Pressure On Direct Optical Transitions Of G-insementioning

confidence: 89%