Direct calculations on the band offsets of large-lattice-mismatched and heterovalent Si and III–V semiconductors

Abstract Band offset in semiconductors is a fundamental physical quantity that determines the performance of optoelectronic devices. However, the current method of calculating band offset is difficult to apply directly to the large-lattice-mismatched and heterovalent semiconductors because of the existing electric field and large strain at the interfaces. Here, we proposed a modified method to calculate band offsets for such systems, in which the core energy level shifts caused by heterovalent effects and lattice mismatch are estimated by interface reconstruction and the insertion of unidirectional strain structures as transitions, respectively. Taking the Si and III–V systems as examples, the results have the same accuracy as what is a widely used method for small-lattice-mismatched systems, and are much closer to the experimental values for the large-lattice-mismatched and heterovalent systems. Furthermore, by systematically studying the heterojunctions of Si and III–V semiconductors along different directions, it is found that the band offsets of Si/InAs and Si/InSb systems in [100], [110] and [111] directions belong to the type I, and could be beneficial for silicon-based luminescence performance. Our study offers a more reliable and direct method for calculating band offsets of large-lattice-mismatched and heterovalent semiconductors, and could provide theoretical support for the design of the high-performance silicon-based light sources.

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Structural properties of GaAs/InGaAs/GaAs (001) and InGaAs/GaAs (001) heterostructures and correlation with electronic properties

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100176149 ◽

1990 ◽

Vol 48 (4) ◽

pp. 602-603

Author(s):

J.M. Bonar ◽

R. Hull ◽

R. Malik ◽

R. Ryan ◽

J.F. Walker

Keyword(s):

Band Gap ◽

Electronic Properties ◽

Gaas Substrate ◽

Critical Thickness ◽

Lattice Mismatch ◽

Band Offset ◽

Misfit Dislocations ◽

Gaas Substrates ◽

Gaas Structure ◽

Low X

In this study we have examined a series of strained heteropeitaxial GaAs/InGaAs/GaAs and InGaAs/GaAs structures, both on (001) GaAs substrates. These heterostructures are potentially very interesting from a device standpoint because of improved band gap properties (InAs has a much smaller band gap than GaAs so there is a large band offset at the InGaAs/GaAs interface), and because of the much higher mobility of InAs. However, there is a 7.2% lattice mismatch between InAs and GaAs, so an InxGa1-xAs layer in a GaAs structure with even relatively low x will have a large amount of strain, and misfit dislocations are expected to form above some critical thickness. We attempt here to correlate the effect of misfit dislocations on the electronic properties of this material.The samples we examined consisted of 200Å InxGa1-xAs layered in a hetero-junction bipolar transistor (HBT) structure (InxGa1-xAs on top of a (001) GaAs buffer, followed by more GaAs, then a layer of AlGaAs and a GaAs cap), and a series consisting of a 200Å layer of InxGa1-xAs on a (001) GaAs substrate.

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Enhanced luminescence/photodetecting bifunctional devices based on ZnO:Ga microwire/p-Si heterojunction by incorporating Ag nanowires

Nanoscale Advances ◽

10.1039/d1na00428j ◽

2021 ◽

Author(s):

Mingming Jiang ◽

Yang Liu ◽

Ruiming Dai ◽

Kai Tang ◽

Peng Wan ◽

...

Keyword(s):

Band Gap ◽

Carrier Mobility ◽

Lattice Mismatch ◽

Semiconductor Materials ◽

Large Lattice ◽

Ag Nanowires ◽

Large Lattice Mismatch ◽

Enhanced Luminescence ◽

Indirect Band Gap

Suffering from the indirect band gap, low carrier mobility, and large lattice mismatch with other semiconductor materials, one of the current challenges in Si-based materials and structures is to prepare...

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An X-ray scattering study on inverted Ge–Si huts grown at low temperatures

Powder Diffraction ◽

10.1154/1.1815339 ◽

2004 ◽

Vol 19 (4) ◽

pp. 347-351

Author(s):

J. Xu ◽

X. S. Wu ◽

B. Qian ◽

J. F. Feng ◽

S. S. Jiang ◽

...

Keyword(s):

Low Temperatures ◽

Lattice Strain ◽

Lattice Mismatch ◽

Grazing Incidence ◽

X Ray Diffraction ◽

X Ray ◽

X Ray Scattering ◽

Transmission Electron ◽

Large Lattice ◽

Scattering Study

Ge–Si inverted huts, which formed at the Si∕Ge interface of Si∕Ge superlattice grown at low temperatures, have been measured by X-ray diffraction, grazing incidence X-ray specular and off-specular reflectivities, and transmission electron microscopy (TEM). The surface of the Si∕Ge superlattice is smooth, and there are no Ge–Si huts appearing on the surface. The roughness of the surfaces is less than 3 Å. Large lattice strain induced by lattice mismatch between Si and Ge is found to be relaxed because of the intermixing of Ge and Si at the Si∕Ge interface.

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High mobility AlGaN/GaN heterostructures grown on Si substrates using a large lattice-mismatch induced stress control technology

Applied Physics Letters ◽

10.1063/1.4917504 ◽

2015 ◽

Vol 106 (14) ◽

pp. 142106 ◽

Cited By ~ 22

Author(s):

Jianpeng Cheng ◽

Xuelin Yang ◽

Ling Sang ◽

Lei Guo ◽

Anqi Hu ◽

...

Keyword(s):

Lattice Mismatch ◽

High Mobility ◽

Control Technology ◽

Stress Control ◽

Si Substrates ◽

Induced Stress ◽

Large Lattice ◽

Large Lattice Mismatch

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Epitaxial Growth of Copper, Silver and Gold on a Semiconducting Layered Material: Tungsten Disulfide

MRS Proceedings ◽

10.1557/proc-102-41 ◽

1987 ◽

Vol 102 ◽

Cited By ~ 2

Author(s):

D. L. Doering ◽

F. S. Ohuchi ◽

W. Jaegermann ◽

B. A. Parkinson

Keyword(s):

Thin Films ◽

Epitaxial Growth ◽

Lattice Mismatch ◽

Layered Material ◽

Tungsten Disulfide ◽

Layer By Layer ◽

Metal Contacts ◽

Layered Semiconductor ◽

Large Lattice ◽

Large Lattice Mismatch

ABSTRACTThe growth of copper, silver and gold thin films on tungsten disulfide has been examined as a model of metal contacts on a layered semiconductor. All three metals were found to grow epitaxially on the WS2. However, Cu appears to form a discontinuous film while Au and Ag grow layer by layer. Such epitaxial growth is somewhat surprising since there is a large lattice mismatch between the metals and the WS2.

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III-V monolithic resonant photoreceiver using local epitaxy and large lattice mismatch material

Microwave and Optical Technology Letters ◽

10.1002/mop.4650040602 ◽

1991 ◽

Vol 4 (6) ◽

pp. 217-219 ◽

Cited By ~ 2

Author(s):

S. Aboulhouda ◽

J. P. Vilcot ◽

M. Razeghi ◽

D. Decoster ◽

M. Francois ◽

...

Keyword(s):

Lattice Mismatch ◽

Large Lattice ◽

Large Lattice Mismatch

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Tuning of band-edges in type-I core–shell nanocrystals through band-offset engineering: selective quantum confinement effect

RSC Advances ◽

10.1039/c3ra41525b ◽

2013 ◽

Vol 3 (32) ◽

pp. 13225 ◽

Cited By ~ 7

Author(s):

Sukumar Dey ◽

Amlan J. Pal

Keyword(s):

Quantum Confinement ◽

Quantum Confinement Effect ◽

Confinement Effect ◽

Band Offset ◽

Core Shell ◽

Type I

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Investigation of GaNAsSb/GaAs and GaInNAsSb/GaNAs/GaAs Band Offsets

MRS Proceedings ◽

10.1557/proc-864-e3.3 ◽

2005 ◽

Vol 864 ◽

Author(s):

Homan B. Yuen ◽

Robert Kudrawiec ◽

K. Ryczko ◽

S.R. Bank ◽

M.A. Wistey ◽

...

Keyword(s):

Theoretical Calculations ◽

Plasma Source ◽

Nitrogen Plasma ◽

Band Offset ◽

Dilute Nitride ◽

Band Offsets ◽

Conduction Band Offset ◽

Energy Transitions ◽

Gaas Structure ◽

Gaas Laser

AbstractHeterojunction band offsets of GaNAsSb/GaAs, GaInNAsSb/GaAs, and GaInNAsSb/GaNAs/GaAs quantum well (QW) structures were measured by photoreflectance (PR) spectroscopy. These samples were grown by solid-source molecular beam epitaxy using a radio-frequency nitrogen plasma source. PR spectra were collected from the QW structures and the energy transitions were obtained. The experimental data of the QW energy transitions were analyzed by theoretical calculations. Using predetermined values such as QW thickness and composition, unknown factors such as the heterojunction band offsets were able to be determined. For the GaN0.02As0.87Sb0.11/GaAs structure, we found that Qc≈0.5. For Ga0.62In0.38N0.026As0.954Sb0.02/GaAs, we found that Qc≈0.8. This value is similar to the antimony free dilute-nitride material GaInNAs since the small amount of antimony does not affect the band offsets. For the technologically important Ga0.61In0.39N0.023As0.957Sb0.02/GaN0.027As0.973/GaAs laser structure, we found that the GaInNAsSb/GaNAs QW had a conduction band offset of 144 meV and a valence band offset of 127 meV. With a greater understanding of the band structure, more advanced GaInNAsSb laser devices can be obtained.

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