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  4. Thermal Expansion Behaviors of Li3AsW7O25: A Case Study for Comparative Debye Temperature for a Large Polyatomic Unit Cell
 
Zitierlink DOI
10.26092/elib/12

Thermal Expansion Behaviors of Li3AsW7O25: A Case Study for Comparative Debye Temperature for a Large Polyatomic Unit Cell

Veröffentlichungsdatum
2018-02-16
Autoren
Murshed, Mohammad Mangir  
Zhao, Pei  
Huq, Ashfia  
Gesing, Thorsten M.  
Zusammenfassung
The thermal expansion behavior of Li3AsW7O25 has been studied. The temperature‐dependent development of crystal structural parameters was obtained from Rietveld refinement using neutron time of flight powder diffraction data. Modeling of the lattice thermal expansion was carried out using a Grüneisen first‐order approximation for the zero‐pressure equation of state, where the temperature‐dependent vibrational energy was calculated taking the Debye‐Einstein‐Anharmonicity approach. Temperature‐dependent Raman spectra shed light on some selective modes with unusual anharmonicity. Debye temperatures were calculated using three different theoretical approaches, namely, thermal expansion, mean‐squared isotropic atomic displacement parameter and heat capacity. Similarities as well as discrepancies between the numerical values obtained from different theoretical approaches are discussed.
Schlagwörter
Lithium‐arsenotungstate

; 

Neutron diffraction

; 

Raman spectroscopy

; 

Thermal expansion

; 

Debye temperature
Institution
Universität Bremen  
Fachbereich
Fachbereich 02: Biologie/Chemie (FB 02)  
Dokumenttyp
Artikel/Aufsatz
Zeitschrift/Sammelwerk
Zeitschrift für anorganische und allgemeine Chemie  
Startseite
253
Endseite
259
Zweitveröffentlichung
Nein
Sprache
Englisch
Dateien
Lade...
Vorschaubild
Name

127_Post.pdf

Description
Postprint
Size

1.05 MB

Format

Adobe PDF

Checksum

(MD5):e3a126e0e468b1eae1fedbda019a4faf

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