Chemical and structural effects of two-dimensional isovalent substitutions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>A</mml:mi><mml:mo>(</mml:mo><mml:mi mathvariant="normal">III</mml:mi><mml:mo>)</mml:mo><mml:mo>−</mml:mo><mml:mi>B</mml:mi><mml:mo>(</mml:mo><mml:mi mathvariant="normal">V</mml:mi><mml:mo>)</mml:mo></mml:math>semiconductors

Schmidt, Heidemarie; Pickenhain, R.; Böhm, G.

doi:10.1103/physrevb.65.045323

Cited by 8 publications

(2 citation statements)

References 66 publications

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“…The values of about 5 Å are found for the HfO 2 /4H-SiC interface [41] and for the Ge 3 N 4 /Ge interface [42]. It is also interesting to note that the analysis of a single ML embedded into a III-V semiconductor shows that the Coulombic effects extend over a few MLs [43][44][45].…”

Section: Comparison With the Dft Calculationsmentioning

confidence: 84%

Potential profile of the quantum step in semiconductors and the example of GaN

Šantić¹,

Šantić²

2012

Semicond. Sci. Technol.

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It is usually assumed that the quantum step (QS), quantum well (QW) and quantum barrier (QB) have the rectangular potential profiles. We show that the potential profiles are not really rectangular. A QS is actually a smooth, gradual change of potential over a distance larger than one monolayer. For a narrow QW, instead of the QW, a more appropriate term is the quantum valley. We study the dipole layers formed by the ions and calculate the electrostatic contribution to the potential. Notably, the minimal thickness of the QS is not determined by the distance between the charged planes, but by the lateral spacing between ions of the same polarity. In the example of GaN, the QS cannot be thinner than about 3 Å.

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Section: Comparison With the Dft Calculationsmentioning

confidence: 84%

Potential profile of the quantum step in semiconductors and the example of GaN

Šantić¹,

Šantić²

2012

Semicond. Sci. Technol.

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“…The electronic properties of short-period superlattices (SL), i.e. heterostructures formed by periodic UNLs, were studied experimentally and numerically based on different approximations, see [9,10], respectively. These approaches determine the energy spectra of SL only, but they are not suitable for consideration of transport and optical phenomena.…”

Section: Introductionmentioning

confidence: 99%

Electronic states in heterostructures formed by ultranarrow layers

Vasko

Mitin²

2012

J. Phys.: Condens. Matter

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Low-energy electronic states in heterosrtuctures formed by ultranarrow layers (single or several monolayers thickness) are studied theoretically. The host material is described within the effective mass approximation and effect of ultranarrow layers is taken into account within the framework of the transfer matrix approach. Using the current conservation requirement and the inversion symmetry of ultranarrow layer, the transfer matrix is evaluated through two phenomenological parameters. The binding energy of localized state, the reflection (transmission) coefficient for the single ultranarrow layer case, and the energy spectrum of superlattice are determined by these parameters. Spectral dependency of absorption due to photoexcitation of electrons from localized states into minibands of superlattice is determined by the ultranarrow layers characteristics. Such a dependency can be used for verification of the transfer matrix and should modify characteristics of optoelactronic devices with ultranarrow layers. Comparision with experimental data shows that the effective mass approach is not valid for description of ultranarrow layer.

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Inorganic SnIP‐Type Double Helices in Main‐Group Chemistry

Baumgartner

Weihrich

Nilges

2017

Chemistry A European J

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Inspired by the synthesis of the first atomic-scale double-helix semiconductor SnIP, this study deals with the question of whether more atomistic, inorganic double-helix compounds are accessible. With the aid of quantum chemical calculations, we have identified 31 candidates by a homoatomic substitution in MXPn, varying the Group 14 M-element from Si to Pb, the Group 17 X-element from F to I and replacing the pnictide (Pn) phosphorus by arsenic. The double-helical structure of SnIP has been used as the starting model for all candidates and the electronic structure and vibrational spectra were determined within the framework of density functional theory (DFT). Varying the outer MX or the inner Pn helix led to the conclusion that iodide- and bromide-containing MXPn compounds show similar structures to SnIP. Here, the calculations indicate interesting effects for electronic band-gap tuning. For the highly polarized fluorides, a segregation of the helices to more complex MX substructures is predicted.

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Chemical and structural effects of two-dimensional isovalent substitutions inA(III)−B(V)semiconductors

Cited by 8 publications

References 66 publications

Potential profile of the quantum step in semiconductors and the example of GaN

Potential profile of the quantum step in semiconductors and the example of GaN

Electronic states in heterostructures formed by ultranarrow layers

Inorganic SnIP‐Type Double Helices in Main‐Group Chemistry

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