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Showing 1 to 7 of 7 for “"layered crystals"”.
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X-Ray Absorption in Layered Crystals
… spectra have been obtained for a group of layered transitional-metal dichalcogenide crystals, including the nonstoichiometric compounds Ti(,1+x)Se(,2) and the alloys Zr(,x)Ti(,1-x)Se(,2). Fourier transform analysis of the EXAFS spectra has been performed in order to test the theoretical …
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On the Plasticity of Layered Crystals
… ternary carbides and nitrides with a hexagonal layered crystal structure, which show a critical resolved shear stress for basal plane slip of as low as 77 MPa. A possible explanation for this unusual ductility was proposed on the basis of electronegativity differences, which promote electron …
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Surface studies of group IV-VI layered crystals
The surface structure of TiS2 has been investigated by low energy electron diffraction (LEED). No surface reconstruction was observed and comparison of LEED intensity data with theory suggests a slight outward relaxation of atomic planes at the surface. The LEED pattern for a crystal cleaved at a …
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Using data-derived charge densities in electronic structure methods
… to approximate the potential energy of hexagonal layered crystals and show how a flexible form is essential to fully utilise the available data. We then focus on developing new approaches to approximate ground state electron densities and on novel applications that help to further unify …
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Electronic Structure Based Investigations of Hybrid Perovskites and Their Nanostructures
… atomic-scale two-dimensionally connected (“2D”) layered crystals and nano-scale structures offer a wide range of compositional, structural, and electronic tunability. Based on quantum chemistry simulations (specifically, density functional theory), this dissertation aims to contribute to the …
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High temperature quantum transport in graphene/hexagonal-boron nitride heterostructures
… in solid state physics, where a new class of layered crystals can be thinned down to a monolayer and exhibit drastic changes in their electronic and optical properties in comparison to their bulk counterpart. Graphene was the first, and certainly most outstanding, of this set of so called …
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Structural transitions in titanium diselenide
Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-20T18:42:35Z No. of bitstreams: 1 1980_gaby.pdf: 1524259 bytes, checksum: 5621cae638a1d764e0136238afc9b5ed (MD5)