Energy band gap, intrinsic carrier concentration, and Fermi level of CdTe bulk crystal between 304 and 1067K

Su, Ching‐Hua

doi:10.1063/1.2899087

Cited by 31 publications

(12 citation statements)

References 42 publications

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“…Light and dark shades of gray distinguish the band-gap value. Data are obtained from refs − , and for details, see Table S1 in the Supporting Information (SI).…”

Section: Introductionmentioning

confidence: 99%

On the Dopability of Semiconductors and Governing Material Properties

et al. 2020

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To be practical, semiconductors need to be doped. Sometimes, they need to be doped to nearly degenerate levels, e.g., in applications such as thermoelectric, transparent electronics, or power electronics. However, many materials with finite band gaps are not dopable at all, while many others exhibit a strong preference toward allowing either p- or n-type doping but not both. In this work, we develop a model description of semiconductor dopability and formulate design principles in terms of governing material properties. Our approach, which builds upon the semiconductor defect theory applied to a suitably devised (tight-binding) model system, reveals analytic relationships between intrinsic material properties and the semiconductor dopability and elucidates the role and the insufficiency of previously suggested descriptors such as the absolute band edge positions. We validate our model against a number of classic binary semiconductors and discuss its extension to more complex chemistries and the utility in large-scale material searches.

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“…Light and dark shades of gray distinguish the band-gap value. Data are obtained from refs − , and for details, see Table S1 in the Supporting Information (SI).…”

Section: Introductionmentioning

confidence: 99%

On the Dopability of Semiconductors and Governing Material Properties

et al. 2020

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“…A bulk CdTe crystal is typically an insulator with a wide band gap (∼1.6 eV) in the ZB structure with sp 3 bonding. 18,19 The ZB structure has a peculiar feature along the [111] direction, i.e., the (111) interplanar spacings are alternately wide and narrow. This feature is found to be important in the formation of the unusual metastable CdTe/PbTe (111) interfacial structure.…”

Section: Introductionmentioning

confidence: 99%

Two-dimensional electron gas at the metastable twisted interfaces of CdTe/PbTe (111) single heterojunctions

Jin

Cai

et al. 2013

Phys. Rev. B

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The lattice-structure-mismatched CdTe/PbTe heterostructures are emerging materials with unique properties and promising applications in midinfrared optoelectronics and spintronics. High-density two-dimensional electron gas at the metastable twisted interfaces of CdTe/PbTe (111) is investigated experimentally and theoretically. CdTe thin films grown on PbTe(111) using molecular-beam epitaxy are found to have high electron mobilities and carrier concentrations from Hall-effect measurements: 2.02 × 10 4 cm 2 /V s and 4.5 × 10 18 cm −3 at 2 K, and 6.70 × 10 3 cm 2 /V s and 6.0 × 10 19 cm −3 at 77 K. Our density-functional theory modeling reveals that the epitaxially grown CdTe/PbTe (111) heterostructures form metastable twisted interfaces that exhibit unusual structural and electronic properties: (1) The PbTe epilayer on CdTe(111) substrates is structurally highly distorted from the rocksalt structure within the first ∼4.5 nm from the interface, which is caused by the stereochemical activity of the Pb s 2 lone pair. (2) The CdTe eplilayer on the PbTe(111) forms spontaneously a high density two-dimensional electron gas (2DEG) over 10 13 cm −2 near the interface, without the need for doping, which explains the experimentally observed high carrier density and mobility. It is a much simpler heterostructure yet able to offer high electron mobility comparable to and one or two order magnitude higher sheet carrier density than the best achieved values for those of Si and II-VI based quantum well structures relying on modulation doping.

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“…This finding implies that the RS structure PbTe may easily become unstable under certain circumstances. Nevertheless, a bulk CdTe crystal is typically an insulator with a wide band gap (1.6 eV) in the ZB structure formed by the sp 3 hybridization [20,21]. The ZB structure has alternating interplanar spacings along the [111] direction, whereas the RS structure has equally spaced (111) planes.…”

Section: Introductionmentioning

confidence: 99%

Twisted ZB–CdTe/RS–PbTe (111) heterojunction as a metastable interface structure

et al. 2012

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The heterostructures of (zinc-blende)-CdTe/(rock-salt)-PbTe are typically found to have their common cubic axes aligned to each other, as in the case of PbTe quantum dots embedded in a CdTe matrix. In this work, we perform both theoretical and experimental studies on the CdTe/PbTe heterostructure in a different geometry: a planar CdTe/PbTe (111) heterostructure. We simulate the epitaxial growth of CdTe (PbTe) on the (111) PbTe (CdTe) substrate, using a density-functional theory. A twisted CdTe/PbTe (111) interface structure has been predicted in the layer-by-layer epitaxial growth on the (111) substrate, in contrast to the non-twisted CdTe/PbTe (111) interface reported in the literature. This predicted structure has been confirmed experimentally in the heterostructure grown by molecular beam epitaxy, using a high-resolution transmission electron microscope. The twisted interface has a lower binding energy than the nontwisted one, indicating that the twisted structure is a metastable phase formed in 5

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Energy band gap, intrinsic carrier concentration, and Fermi level of CdTe bulk crystal between 304 and 1067K

Cited by 31 publications

References 42 publications

On the Dopability of Semiconductors and Governing Material Properties

On the Dopability of Semiconductors and Governing Material Properties

Two-dimensional electron gas at the metastable twisted interfaces of CdTe/PbTe (111) single heterojunctions

Twisted ZB–CdTe/RS–PbTe (111) heterojunction as a metastable interface structure

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