Effect of Pressure on the Energy Band Structure of AlAs Using sp3s* Model
Abstract
We used the sp3s* tight-bonding method as a computational approach to calculate the energy band structure of AlAs crystals in the absence of pressure and analyzed the effect of pressure on the energy band structure under low pressure (1-7) GPa. We used two forms of the Birch-Maugham equation of state (third- and fourth-order) to calculate the changes in the elements of the Hamiltonian matrix resulting from changes in crystal volume and lattice constant. The dispersion relationships for the high-symmetry directions in the first Brillouin zone were found by numerically calculating the Hamiltonian diagonal under pressure. The present computations are performed using a routine written in MATLAB. We found that the effects of both forms of the equation of state on the band structure differ only slightly (by 0.01) at low pressure, as shown in the band structure diagrams. The conduction-band valleys creep downward under low pressure, decreasing both the direct and indirect energy gaps. The results obtained were consistent with other experimental and theoretical results.
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References
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