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- W3131149076 abstract "Complementary to the development of highly three-dimensional (3D) integrated circuits in the continuation of Moore's law, there has been a growing interest in new 3D deformation strategies to improve device performance. To continue this search for new 3D deformation techniques, it is essential to explore beforehand - using computational predictive methods - which strain tensor leads to the desired properties. In this work, we study germanium (Ge) under an isotropic 3D strain on the basis of first-principle methods. The transport and optical properties are studied by a fully ab initio Boltzmann transport equation and many-body Bethe-Salpeter equation (BSE) approach, respectively. Our findings show that a direct band gap in Ge could be realized with only 0.34% triaxial tensile strain (negative pressure) and without the challenges associated with Sn doping. At the same time a significant increase in refractive index and carrier mobility - particularly for electrons - is observed. These results demonstrate that there is a huge potential in exploring the 3D deformation space for semiconductors - and potentially many other materials - in order to optimize their properties." @default.
- W3131149076 created "2021-03-01" @default.
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- W3131149076 date "2021-06-22" @default.
- W3131149076 modified "2023-10-16" @default.
- W3131149076 title "Efficient Direct Band-Gap Transition in Germanium by Three-Dimensional Strain" @default.
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- W3131149076 doi "https://doi.org/10.1021/acsami.1c03700" @default.
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