Coefficient of expansion of gallium arsenide from –62 to 200°C

Pierron, E. D.; Parker, D. L.; McNeely, J. B.

doi:10.1107/s0365110x66002780

Cited by 43 publications

(8 citation statements)

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“…The calculated lattice parameter for GaAs is 5.626 Å, which matches well with other theoretical and experimental results. [23][24][25] The supercell volume is kept fixed during the optimization of the defect structures.…”

Section: Computational Detailsmentioning

confidence: 99%

Effect of local chemistry and structure on thermal transport in doped GaAs

Kundu

Otte

Carrete

et al. 2019

Phys. Rev. Materials

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Using a first-principles approach, we analyze the impact of DX centers formed by S, Se, and Te dopant atoms on the thermal conductivity of GaAs. Our results are in good agreement with experiments and unveil the physics behind the drastically different effect of each kind of defect. We establish a causal chain linking the electronic structure of the dopants to the thermal conductivity of the bulk solid, a macroscopic transport coefficient. Specifically, the presence of lone pairs leads to the formation of structurally asymmetric DX centers that cause resonant scattering of incident phonons. The effect of such resonances is magnified when they affect the part of the spectrum most relevant for thermal transport. We show that these resonances are associated with localized vibrational modes in the perturbed phonon spectrum. Finally, we illustrate the connection between flat adjacent minima in the energy landscape and resonant phonon scattering through detailed analyses of the energy landscape of the defective structures. arXiv:1905.11056v1 [cond-mat.mtrl-sci] 27 May 2019 * ashis.kundu@tuwien.ac.at 1 S. M. Sze and K. K. Ng, Physics of semiconductor devices, John wiley & sons, 2006.

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Section: Computational Detailsmentioning

confidence: 99%

Effect of local chemistry and structure on thermal transport in doped GaAs

Kundu

Otte

Carrete

et al. 2019

Phys. Rev. Materials

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“…Pertinent linear material coefficients for gallium arsenide and boron nitride. 183,184,228,[352][353][354][355][356][441][442][443][444][445][446][447][448][449][450][451][452][453]456,460,468,23,452,457,[581][582][583][584][585][586][587][588][589][590][591] Cubic ρ (Mg/m 𝐸 44 is that for lateralexcitation of shear waves propagating along [100]; see also Tables 4a-d and 9a and b. 273 In cubics, the square of this coupling factor is equal to the following quantities: (𝜀 𝑇…”

Section: Ta B L Ementioning

confidence: 99%

Acoustic properties of piezoelectric cubic crystals

Ballato

2023

Int J Ceramic Engine & Sci

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This paper is offered as a complementary adjunct to the many treatments of the electronic and photonic properties of cubic III–V and II–VI compounds appearing in the literature. These crystals typically exhibit piezoelectricity, due to the molecular dissymmetry, thereby allowing the inclusion of classical mechanical/acoustic features along with the quantum. We discuss the history of this modality and then illustrate its use by applying it to an electro‐elastic problem that has the estimable virtues of having an exact solution, along with wide practical applicability: determination of the piezocoupling values governing the excitation of thickness vibrations in thin cubic films or plates of arbitrary crystallographic orientation by electric fields directed either along, or lateral to, the thickness. Explicit results are given for orientations along the great‐circle paths connecting the principal directions [100], [110], and [111]. The formalism is then applied to GaAs as an example; it is further demonstrated that various results, such as the orientational variations of piezocoupling factors, are generally applicable to other members of the III–V and II–VI families by scaling. Ancillary aspects, such as errors due to misorientations, nonlinearities, and equivalent circuit representations, are described and discussed. This work is dedicated to Gerald W. Farnell (1925–2015), Prof. Emeritus, McGill University, Montréal, Canada.

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“…When growing heteroepitaxial films, one of the most important aspects to take in consideration is the lattice mismatch between the single crystal used as a substrate and the intended material to be grown. GaAs, with a lattice constant a of 5.653 Å at room temperature, [ 23 ] is a suitable substrate for the growth of the chalcopyrite Cu(In 1– x ,Ga x )Se 2 , which has a lattice constant a ranging from 5.777 Å for x = 0 to 5.604 Å for x = 1. [ 24 ] It is also possible for the c ‐axis of the tetragonal chalcopyrite structure to grow parallel to the GaAs surface to reduce the lattice mismatch, which is expected for 0.22 < x < 0.54 when c /2 is closer to the GaAs lattice constant than the lattice parameter a .…”

Section: Resultsmentioning

confidence: 99%

The Effect of Potassium Fluoride Postdeposition Treatments on the Optoelectronic Properties of Cu(In,Ga)Se₂ Single Crystals

et al. 2021

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The power conversion efficiency boost of Cu(In,Ga)Se2 in the past years has been possible due to the incorporation of heavy alkali atoms. Their addition through postdeposition treatments results in an improvement of the open‐circuit voltage, the origin of which has been associated with grain boundaries. Herein, the effect of potassium fluoride postdeposition treatments on the optoelectronic properties of a series of sodium‐free Cu(In,Ga)Se2 single crystals with varying Cu and Ga content is discussed. Results suggest that improvement of the quasi‐Fermi level splitting can be achieved in the absence of grain boundaries, being greater in low‐gallium Cu‐poor absorbers. Secondary ion mass spectrometry reveals the presence of potassium inside the bulk of the films, suggesting that transport of potassium can occur through grain interiors. In addition, a type inversion from n to p in potassium fluoride‐treated low‐gallium Cu(In,Ga)Se2 is observed, which along with study of the carrier lifetime demonstrates that potassium can act as a dopant. The fact that potassium on its own can alter the optoelectronic properties of Cu(In,Ga)Se2 single crystals demonstrates that the effect of postdeposition treatments goes beyond grain boundary passivation.

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Coefficient of expansion of gallium arsenide from –62 to 200°C

Cited by 43 publications

References 1 publication

Effect of local chemistry and structure on thermal transport in doped GaAs

Effect of local chemistry and structure on thermal transport in doped GaAs

Acoustic properties of piezoelectric cubic crystals

The Effect of Potassium Fluoride Postdeposition Treatments on the Optoelectronic Properties of Cu(In,Ga)Se₂ Single Crystals

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Coefficient of expansion of gallium arsenide from –62 to 200°C

Cited by 43 publications

References 1 publication

Effect of local chemistry and structure on thermal transport in doped GaAs

Effect of local chemistry and structure on thermal transport in doped GaAs

Acoustic properties of piezoelectric cubic crystals

The Effect of Potassium Fluoride Postdeposition Treatments on the Optoelectronic Properties of Cu(In,Ga)Se2 Single Crystals

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Product

Resources

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The Effect of Potassium Fluoride Postdeposition Treatments on the Optoelectronic Properties of Cu(In,Ga)Se₂ Single Crystals