On variation of charge carrier mobility under influence of mismatch-induced stress in a heterostructure

Purpose The purpose of this paper is to analyze the manufacturing of diffusion-junction heterorectifier with account relaxation of mismatch-induced stress. On the basis of the analysis, the authors formulate recommendations to increase sharpness of the p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. Design/methodology/approach The authors formulate recommendations to increase sharpness of p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. To formulate the recommendations, the authors analyzed the manufacturing of the junction. The authors introduce an analytical approach to analyze the manufacturing. Findings The authors find a possibility to increase sharpness of p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. Originality/value The results are original.

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Influence of Mismatch-Induced Stress in a Heterostructure on Value of Charge Carrier Mobility

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2017.6905 ◽

2017 ◽

Vol 14 (10) ◽

pp. 4955-4963 ◽

Cited By ~ 1

Author(s):

E. L. Pankratov ◽

E. A. Bulaeva

Keyword(s):

Charge Carrier ◽

Carrier Mobility ◽

Charge Carrier Mobility ◽

Induced Stress

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The Influence of Nitrogen Position on Charge Carrier Mobility in Enantiopure Aza[6]helicene Crystals

10.26434/chemrxiv.7458719.v1 ◽

2018 ◽

Author(s):

Francesco Salerno ◽

Beth Rice ◽

Julia Schmidt ◽

Matthew J. Fuchter ◽

Jenny Nelson ◽

...

Keyword(s):

Solid State ◽

Charge Carrier ◽

Carrier Mobility ◽

Chemical Structure ◽

Crystal Packing ◽

Charge Carrier Mobility ◽

Individual Factor ◽

Charge Mobility ◽

Order Of Magnitude ◽

Small Change

<p>The properties of an organic semiconductor are dependent on both the chemical structure of the molecule involved, and how it is arranged in the solid-state. It is challenging to extract the influence of each individual factor, as small changes in the molecular structure often dramatically change the crystal packing and hence solid-state structure. Here, we use calculations to explore the influence of the nitrogen position on the charge mobility of a chiral organic molecule when the crystal packing is kept constant. The transfer integrals for a series of enantiopure aza[6]helicene crystals sharing the same packing were analysed in order to identify the best supramolecular motifs to promote charge carrier mobility. The regioisomers considered differ only in the positioning of the nitrogen atom in the aromatic scaffold. The simulations showed that even this small change in the chemical structure has a strong effect on the charge transport in the crystal, leading to differences in charge mobility of up to one order of magnitude. Some aza[6]helicene isomers that were packed interlocked with each other showed high HOMO-HOMO integrals (up to 70 meV), whilst molecules arranged with translational symmetry generally afforded the highest LUMO-LUMO integrals (40 - 70 meV). As many of the results are not intuitively obvious, a computational approach provides additional insight into the design of new semiconducting organic materials.</p>

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