Electronic structure of InxGa1−xAsySb1−y alloys

Joshi, K. B.; Patel, Nishant N.; Swarnkar, C. B.; Paliwal, U.

doi:10.1016/j.commatsci.2009.12.034

Cited by 5 publications

(4 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…EPM (Cohen and Chelikowski 1988;Al-Douri et al 2003;Swarnkar et al 2009;Joshi et al 2010) involves fitting of atomic form factors to the experimental data. The crystal potential V (r) is then generated by superposition of atomic potentials…”

Section: Empirical Pseudopotential Methodsmentioning

confidence: 99%

“…EPM is one of the highly reliable and rapidly converging methods to study electronic band structure and relative properties of semiconductors. The structural alloying effects are modeled under the modified virtual crystal approximation (Bouarissa 2003) which has worked well for ternary and quaternary semiconductors (Swarnkar et al 2009;Joshi et al 2010). The computed band parameters can be used to quantify degree of covalence or ionicity.…”

Section: Introductionmentioning

confidence: 99%

“…Bechiri et al 2002;Ben Fredj et al 2007), which has shown improvement in the evaluation of bandgaps, effective masses and bowing in other III-V and II-VI ternary and multi-component semiconductor alloys(Bechiri et al 2002;Ben Fredj et al 2007;Swarnkar et al 2009;Joshi et al 2010).…”

mentioning

confidence: 98%

See 2 more Smart Citations

Electronic properties and charge density of Be x Zn1 − x Te alloys

Swarnkar¹,

Paliwal

Patel

et al. 2011

Bull Mater Sci

View full text Add to dashboard Cite

Electronic band structure calculations are performed for the Be x Zn 1−x Te (0≤x≤1 in steps of 0·2) alloys following the empirical pseudopotential method. The alloying effects are modelled through the modified virtual crystal approximation. Throughout the composition, valence band maximum resides at the point. The conduction band minimum, however, shifts from to X point of symmetry when x = 0·27. The observed crossover from direct to indirect bandgap is well in accordance with the experimental observations. Effect of alloying on the density of states is also discussed. The charge density distribution along a few major planes is computed and discussed. The electronic band structure related parameters like bandwidths, bandgaps and ionicity are reported and compared with experimental data wherever available. We also give estimates of cohesive energy and bulk modulus for the alloys.

show abstract

Section: Empirical Pseudopotential Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Electronic properties and charge density of Be x Zn1 − x Te alloys

Swarnkar¹,

Paliwal

Patel

et al. 2011

Bull Mater Sci

View full text Add to dashboard Cite

show abstract

“…Interestingly, the experimental studies of the most of the optical properties required to asses this method are available for ZnSe. The method works very well to study valence band structure and related properties of binary, ternary and quaternary semiconductors, and hence can be extended for a large number of such semiconductors [45][46][47][48].…”

Section: Introductionmentioning

confidence: 99%

Optical properties of ZnSe using linear response theory

Joshi

Maurya

Joshi

2023

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The electronic structure and optical response of ZnSe are studied in this work. The studies are carried out using first-principles Full-Potential Linearized Augmented Plane Wave method. After settling the crystal structure, the electronic band structure of the ground state of ZnSe is calculated. Linear response theory is applied to study optical response considering bootstrap and the long range contribution kernels for the first time. We also use the random phase and adiabatic local density approximations for comparison. A procedure based on empirical pseudopotential method is developed to find material dependent parameter α required in the long range contribution kernel. The results are assessed by calculating the real and imaginary parts of linear dielectric function, refractive index, reflectivity, and the absorption coefficient. Results are compared with other calculations and available experimental data. The results of long range contribution kernel finding α from the proposed scheme are encouraging and at par with the bootstrap kernel.

show abstract