Publikationsdatum:
2011-01-26
Beschreibung:
Author(s): A. Borgschulte, R. Gremaud, A. Züttel, P. Martelli, A. Remhof, A. J. Ramirez-Cuesta, K. Refson, E. G. Bardaji, W. Lohstroh, M. Fichtner, H. Hagemann, and M. Ernst The high energy of hydrogen vibrations in solids is the origin of their strong impact on thermodynamic properties. The peculiar structure of complex hydrides amplifies this impact. We shed light on the vibrational properties of three allotropes of Ca(BH_{4} )_{2} using density-functional theory calc... [Phys. Rev. B 83, 024102] Published Tue Jan 25, 2011
Schlagwort(e):
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Digitale ISSN:
1095-3795
Thema:
Physik
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