Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"Valence force field"”.
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A study of the elastic and electronic properties of III-nitride semiconductors
… density functional theory (DFT) data, and a new valence force field (VFF) implementation is introduced which makes explicit use of elastic properties neglected by ubiquitous VFF models. Additionally, third order elastic properties are determined from the results of DFT calculations using …
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Electronic and Optical Properties of Self-Assembled Quantum Wires
… which takes into account the effects of valence-band anisotropy and the band mixing. It is found that the strain leads to further confinement of carriers and enhancement of the anisotropy. By using the EBOM and valence-force field model, we systematically studied the microstrain effects …
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CRYSTAL STRUCTURE ENGINEERING FOR IMPROVED PERFORMANCE OF EMERGING NANOSCALE DEVICES
… in lasers, solid-state lighting, near-field photolithography, free-space quantum cryptography, consumer displays, quantum computation, as well as diagnostic medicine and imaging. However, only few theoretical investigations have been performed on these structures due to the complex …
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First principles-based atomistic modeling of the structural properties of silicon-oxide nanomaterials
… reliability of the CRN model, we have developed force fields based on gradient corrected density functional theory (DFT) calculations. Our in-house CRN-MMC tools have been massively parallelized, which allows us to create fairly large model structures within a reasonable computational time. Using …
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A spectroscopic study of square planar rhodium(I) complexes
… region of the ¹³C nmr spectra. The non-equivalence, and specific assignment of the carbonyl groups in the cis- [ Rh(CO)₂(X)(L)] complexes were determined by recording the variable temperature ¹³C nmr spectra of the doubly enriched species cis[Rh(¹³CO)₂(X)(¹⁵N-ligand)]. ²J(¹³C-Rh-¹⁵N) values …
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Heterostructure engineering of quantum dots-in-a-well infrared photodetectors
… at zero bias, by the virtue of internal electric field generated by the quantum cascade action in the barrier. The zero bias operation, combined with record low photoconductive gains for any quantum dot detectors, makes QD QCD very attractive for focal plane array applications. For improved …