| 1. |
- Droulias, S. A., et al.
(författare)
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Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices
- 2022
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Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 105:19
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Tidskriftsartikel (refereegranskat)abstract
- The deuterium-induced changes of the optical transmission in Fe/V (001) and Cr/V (001) superlattices are found experimentally to be dominated by the volume changes of the vanadium layers and thus indirectly linked to concentration. The deuterium-induced expansion is 67% larger in Cr/V 2/14 monolayers (ML) as compared to Fe/V 2/14 ML. This large difference can be explained by a difference in the site of deuterium from tetrahedral in Fe/V to octahedral in Cr/V. First-principles calculations based on this assumption give quantitative agreement with both the measured optical transmission and the deuterium-induced expansion coefficient. Placing hydrogen in the middle of the vanadium layers results in total energies at 0 K that favor tetrahedral occupancy at low concentrations, although the energy difference is of the order of the thermal energy available in the experiments. Hence small changes in strain, defect concentration, and/or vibrational spectrum of the superlattices may tip the balance to octahedral occupancy at low concentrations. Given this link to concentration and the linear scaling, optical transmission can, therefore, be used in a straightforward way to obtain pressure-composition isotherms also in thin metal films that do not undergo metal-insulator transitions upon hydrogenation.
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| 2. |
- Poulopoulos, Panagiotis, et al.
(författare)
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Intense Quantum Confinement Effects in Cu(2)O Thin Films
- 2011
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 115:30, s. 14839-14843
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Tidskriftsartikel (refereegranskat)abstract
- Thin Cu(2)O films in the thickness range 0.75-230 nm have been prepared on high-quality corning glass, quartz, and Si(100) substrates by radio frequency magnetron sputtering of Cu targets and subsequent oxidation in a furnace under air. Ultraviolet-visible light absorption spectroscopy experiments reveal a blue shift of the energy between the top valence and the first excited conduction sub-bands. The shift increases smoothly as the film thickness decreases. The maximum value observed for the thinnest film is very large, reaching a value of 1.2 eV. Such a shift was not easy to be observed in the past due to the very small Bohr radius of Cu(2)O. The experimental results, which indicate the presence of intense quantum confinement effects, are well-described by theoretical calculations based on the potential morphing method in the Hartree-Fock approximation.
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