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In situ study of the metal–insulator transition in VO2 by EELS and ab initio calculations
FRANCISCO ESPINOSA MAGAÑA
Acceso Abierto
Atribución-NoComercial-SinDerivadas
https://doi.org/10.1016/j.micron.2009.07.007
EELSab initioElectronic structureVO2Dielectric function
Changes in the dielectric properties during the thermochromic transition of commercial VO2 powders were determined in situ, by analyzing the low-loss region of the electron energy-loss spectroscopy (EELS) spectra in a transmission electron microscope at room temperature (insulator phase) and 100 °C (metallic phase). A comparison of experimental EELS spectra and ab initio density-functional theory calculations (WIEN2k code) within the generalized gradient approximation (GGA) is presented. A characteristic peak around 5.6 eV appears in the energy-loss function in metallic phase, which is absent in insulator phase. The origin of the characteristic peak is analyzed by means of energy-band structure calculations.
2009
Artículo
Inglés
Espinosa-Magaña, F., Rosas, A., Esparza-Ponce, H. E., Ochoa-Lara, M. T., & Aguilar-Elguezabal, A. (2009). In situ study of the metal–insulator transition in VO 2 by EELS and ab initio calculations. Micron, 40(8), 787-792.
BIOLOGÍA Y QUÍMICA
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