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Benisek A, Dachs E, Grodzicki M. First-principles investigation of the lattice vibrations in the alkali feldspar solid solution. Phys Chem Miner. 2014;42(3):243-249doi: 10.1007/s00269-014-0715-8.
Benisek, A., Dachs, E., & Grodzicki, M. (2015). First-principles investigation of the lattice vibrations in the alkali feldspar solid solution. Physics and chemistry of minerals, 42(3), 243-249. https://doi.org/10.1007/s00269-014-0715-8
Benisek, Artur, et al. "First-principles investigation of the lattice vibrations in the alkali feldspar solid solution." Physics and chemistry of minerals vol. 42,3 (2015): 243-249. doi: https://doi.org/10.1007/s00269-014-0715-8
Benisek A, Dachs E, Grodzicki M. First-principles investigation of the lattice vibrations in the alkali feldspar solid solution. Phys Chem Miner. 2015;42(3):243-249. doi: 10.1007/s00269-014-0715-8. Epub 2014 Oct 11. PMID: 26213441; PMCID: PMC4509561.
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Phys Chem Miner. 2015;42(3):243-249. doi: 10.1007/s00269-014-0715-8. Epub 2014 Oct 11.

First-principles investigation of the lattice vibrations in the alkali feldspar solid solution.

Physics and chemistry of minerals

Artur Benisek, Edgar Dachs, Michael Grodzicki

Affiliations

  1. Materialforschung und Physik, Universität Salzburg, Hellbrunnerstr. 34, 5020 Salzburg, Austria.

PMID: 26213441 PMCID: PMC4509561 DOI: 10.1007/s00269-014-0715-8

Abstract

The heat capacities of Al, Si ordered alkali feldspars of different Na, K compositions were calculated using the density functional theory. The effect of the Na, K distribution, if random, ordered or clustered, on the resulting heat capacity was investigated on different cells with Ab

Keywords: CASTEP; DFT; Infrared spectra; KAlSi3O8; Low albite; Low microcline; NaAlSi3O8; Vibrational entropy

References

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