Phonon spectra and phonon-dependent properties of AgSO4, an unusual sulfate of divalent silver

Vibrational Spectroscopy

Volumn 57, Issue 2, 2011, Pages 334-337

  Derzsi, Mariana ^a   Malinowski, Przemysław J ^b   Mazej, Zoran ^c   Grochala, Wojciech ^a,b  

^a UNIVERSITY OF WARSAW   (Poland)

^b UNIVERSITY OF WARSAW   (Poland)

^c JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

DFT calculations; Infrared spectroscopy; Oxidizers; Raman spectroscopy; Silver; Sulfates

Indexed keywords

CONSTANT VOLUMES; CORRELATION COEFFICIENT; CUT-OFF; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; HIGH FREQUENCY; HIGH-T; OXIDIZERS; PHONON SPECTRUM; RAMAN SCATTERING SPECTROSCOPY; STRETCHING MODES; SULFATES; THEORETICAL RESULT; VIBRATIONAL BANDS; VIBRATIONAL ENTROPY; ZERO-POINT ENERGIES;

DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; PHONONS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SILVER;

ABSORPTION SPECTROSCOPY;

EID: 80054739839     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2011.07.001     Document Type: Article

References (10)

1. P.J. Malinowski, M. Derzsi, B. Gaweł, W. Łasocha, Z. Jagličić, Z. Mazej, and W. Grochala Angew. Chem. Int. Ed. 49 2010 1683 1686
2. M. Derzsi, K. Dymkowski, and W. Grochala Inorg. Chem. 49 2010 2735 2742
3. W. Grochala, J. Feng, R. Hoffmann, and N.W. Ashcroft Angew. Chem. Int. Ed. 46 2006 3620 3642
4. J. Bardeen, L.N. Cooper, and J.R. Schrieffer Phys. Rev. 108 1957 1175 1204
5. P.E. Blöch Phys. Rev. B 50 1994 17953 17979
6. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169 11186
7. M. Derzsi, J. Stasiewicz, W. Grochala, J. Mol. Model., in press.
8. K. Parliński, Software PHONON, Cracow 2008.
9. T. Michałowski, W. Grochala, unpublished results.
10. A.F. Goncharov, and V.V. Struzhkin J. Raman Spectrosc. 34 2003 532 548