A shell model for ferroelectric perovskites fitted to results of first-principles density functional theory (DFT) calculations is strongly affected by approximations made in the exchange-correlation functional within DFT, and in general not as accurate as a shell model derived from experimental data. We have developed an isotropic shell model for...
The p-type semiconductor Cu₃PSe₄ has recently been established to have a direct band gap of 1.4 eV and an optical absorption spectrum similar to GaAs [Foster et al., Appl. Phys. Lett. 99, 181903 (2011)], suggesting a possible application as a solar photovoltaic absorber. Here we calculate the thermodynamic stability, defect...
A complete solid solution between the anion-deficient pyrochlore Ag₂Sb₂O₆ and the ideal pyrochlore Cd₂Sb₂O₇ has been synthesized through the standard solid state ceramic method. Each composition has been characterized by various different techniques, including powder X-ray diffraction, optical spectroscopy, electron paramagnetic resonance and ¹²¹Sb Mössbauer spectroscopy. Computational methods based on...
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Ag2Sb2O6 to Cd2Sb2O7_ Investigations on an anion-deficient to ideal pyrochlore solid solution” [J. Solid
A complete solid solution between the anion-deficient pyrochlore Ag₂Sb₂O₆ and the ideal pyrochlore Cd₂Sb₂O₇ has been synthesized through the standard solid state ceramic method. Each composition has been characterized by various different techniques, including powder X-ray diffraction, optical spectroscopy, electron paramagnetic resonance and ¹²¹Sb Mössbauer spectroscopy. Computational methods based on...
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-deficient to
ideal pyrochlore solid solution
Laurita, G., Vielma, J., Winter, F., Berthelot, R., Largeteau
A complete solid solution between the anion-deficient pyrochlore Ag₂Sb₂O₆ and the ideal pyrochlore Cd₂Sb₂O₇ has been synthesized through the standard solid state ceramic method. Each composition has been characterized by various different techniques, including powder X-ray diffraction, optical spectroscopy, electron paramagnetic resonance and ¹²¹Sb Mössbauer spectroscopy. Computational methods based on...
A systematic investigation was made of the distribution of short wave radiation within the crown of an open-grown Douglas-fir tree. The study tree was 23 years old, 14 meters tall and had a maximum crown diameter of about ten meters. Global radiation was measured every 15 cm along eight different...
The California Current Ecosystem (CCE) is a dynamic marine ecosystem from which many socioeconomically important fisheries species are harvested. In this thesis, a genotyping-by-sequencing (GBS) approach was used to examine genomic variation in an early life stage of the Dungeness crab (Cancer magister), which constitutes the most valuable single-species commercial...
