Electronic Band Structure and Complex Dielectric Function of zb-AlP: A First Principles Study

Kumar, K. Uma Mahendra

doi:10.12693/aphyspola.136.486

Cited by 4 publications

(2 citation statements)

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“…Complex dielectric function can be well described in the linear response range as follows:

where ω denotes the angular frequency, and ε 1 and ε 2 denote the real and imaginary parts of the dielectric function, respectively. On the basis of Kramers–Kronig dispersion relations and the definition of the direct transition probabilities, ε 1 and ε 2 can be expressed as follows [ 28 ]:

where ω is angular frequency, ε 0 is permittivity of vacuum, e and m are the charge and mass of electron, BZ represents the first Brillouin zone, V and C represent the valence and conduction bands, E V ( K ) and E C ( K ), respectively, denote the valence and conduction band intrinsic levels, K denotes the electron wave vector, M V,C is the transfer matrix and a represents the unit vector potential.…”

Section: Resultsmentioning

confidence: 99%

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Optoelectronic Properties of In0.87Ga0.13As0.25P0.75(001)β2(2×4) Surface: A First-Principles Study

Wang

Zhang

et al. 2023

Materials

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InGaAsP photocathode surface affects the absorption, transport and escape of photons, and has a great influence on quantum efficiency. In order to study InGaAsP photocathode surface, the electronic structure, work function, formation energy, Mulliken population and optical properties of In0.87Ga0.13As0.25P0.75(001)β2(2×4) reconstruction surface were calculated from first principles. Results show that stabilized the In0.87Ga0.13As0.25P0.75(001)β2(2×4) surface is conducive to the escape of low-energy photoelectrons. The narrow bandgap and emerging energy levels of the reconstruction surface make the electron transition easier. Under the action of the dipole moment, the electrons transfer from inner layers to the surface during the surface formation process. By contrast to the bulk, the surface absorption coefficient and reflectivity considerably decrease, and the high-reflection range becomes narrower as the falling edge redshifts. On the contrary, the surface transmissivity increases, which is conducive for the photons passing through the surface into the bulk to excite more photoelectrons. Meanwhile, the higher absorption coefficient of surface in low-energy side is favorable for long-wave absorption. The dielectric function peaks of the surface move toward the low-energy side and peak values decrease.

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“…Complex dielectric function can be well described in the linear response range as follows:

Section: Resultsmentioning

confidence: 99%

“…where ω denotes the angular frequency, and ε 1 and ε 2 denote the real and imaginary parts of the dielectric function, respectively. On the basis of Kramers-Kronig dispersion relations and the definition of the direct transition probabilities, ε 1 and ε 2 can be expressed as follows [28]:…”

Section: Optical Propertiesmentioning

confidence: 99%