The electronic band structure of InN, InAs and InSb compounds

We present an experimental and computational study of the nonlinear optical response of conduction electrons to intense terahertz (THz) electric field. Our observations (saturable absorption and an amplitude-dependent group refractive index) can be understood on the qualitative level as the breakdown of the effective mass approximation. However, a predictive theoretical description of the nonlinear THz propagation has been missing. We propose a model based on the semiclassical electron dynamics, a realistic band structure, and the free electron Drude parameters to accurately calculate the experimental observables in InSb. Our results open a path to modeling of the conduction-electron optical nonlinearity that governs the THz propagation in semiconductors.

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“…Figure 2 shows the conduction band energy-momentum dependence E(k) and the velocity v(k) in InSb used in our computation 33,38,39 .…”

Section: Resultsmentioning

confidence: 99%

Beyond the effective mass approximation: A predictive theory of the nonlinear optical response of conduction electrons

2017

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“…In our previous work [36], the nearest neighbor interactions between anion and cation with sp 3 d 2 basis was defined by 13 different types of ETB energy parameters.…”

Section: Calculational Methodsmentioning

confidence: 99%

“…In the same work, ETB energy parameters of InN, InAs and InSb were derived from the first principles band structure calculations of the corresponding compounds by the fitting process. Since ETB interaction energy parameters reproduced the energy band gaps of the compounds correctly at Γ and X [36], we have surely used them in the band gap engineering calculations of InN x As 1−x , InN x Sb 1−x and InAs x Sb 1−x alloys. Since only the nearest neighbor interactions are taken into account, the self energy parameters (E sa , E pa , E da , E sc , E pc and E dc ) of In, N, As, and Sb are included in the present calculations directly.…”

Section: Calculational Methodsmentioning

confidence: 99%

The electronic band structures of , and alloys

Mohammad¹,

Katırcıoğlu²

2009

Journal of Alloys and Compounds

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“… [a] Ref [ 2 ], [b] Ref [ 3 ], [c] Ref [ 4 ], [d] Ref [ 5 ], [e] Ref [ 6 ], [f] Ref [ 7 ], [g] Ref [ 8 ], [h] Ref [ 9 ], [i] Ref [ 10 ], [j] Ref [ 11 ], [k] Ref [ 12 ], [l] Ref [ 13 ], [m] Ref [ 14 ], [n] Ref [ 15 ], [o] Ref [ 16 ], [p] Ref [ 17 ], [q] Ref [ 18 ], [r] Ref [ 19 ], [s] Ref [ 20 ], [t] Ref [ 21 ], [u] Ref [ 22 ], [v] Ref [ 23 ], [w] Ref [ 24 ], [x] Ref [ 25 ], [y] Ref [ 26 ], [z] Ref [ 27 ], [a’] Ref [ 28 ], [b’] Ref [ 29 ], [c’] Ref [ 30 ], [d’] Ref [ 31 ], [e’] Ref [ 32 ], [f’] Ref [ 33 ], [g’] Ref [ 34 ], [h’] Ref [ 35 ], [i’] Ref [ 36 ], [j’] Ref [ 37 ], [k’] Ref [ 38 ]. …”

Section: Figurementioning

confidence: 99%

First Principle Calculation of Accurate Electronic and Related Properties of Zinc Blende Indium Arsenide (zb-InAs)

et al. 2022

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We carried out a density functional theory (DFT) study of the electronic and related properties of zinc blende indium arsenide (zb-InAs). These related properties include the total and partial densities of states and electron and hole effective masses. We utilized the local density approximation (LDA) potential of Ceperley and Alder. Instead of the conventional practice of performing self-consistent calculations with a single basis set, albeit judiciously selected, we do several self-consistent calculations with successively augmented basis sets to search for and reach the ground state of the material. As such, our calculations strictly adhere to the conditions of validity of DFT and the results are fully supported by the theory, which explains the agreement between our findings and corresponding, experimental results. Indeed, unlike some 21 previous ab initio DFT calculations that reported zb-InAs band gaps that are negative or zero, we found the room temperature measured value of 0.360 eV. It is a clear achievement to reproduce not only the locations of the peaks in the valence band density of states, but also the measured values of the electron and hole effective masses. This agreement with experimental results underscores not only the correct description of the band gap, but also of the overall structure of the bands, including their curvatures in the vicinities of the conduction band minimum (CBM) and of the valence band maximum (VBM).

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The electronic band structure of InN, InAs and InSb compounds

Cited by 18 publications

References 74 publications

Beyond the effective mass approximation: A predictive theory of the nonlinear optical response of conduction electrons

Beyond the effective mass approximation: A predictive theory of the nonlinear optical response of conduction electrons

The electronic band structures of , and alloys

First Principle Calculation of Accurate Electronic and Related Properties of Zinc Blende Indium Arsenide (zb-InAs)

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