Skip to Main Content
GEOREF RECORD

High-pressure Raman spectroscopy, vibrational mode calculation, and heat capacity calculation of calcium ferrite-type MgAl (sub 2) O (sub 4) and CaAl (sub 2) O (sub 4)

Hiroshi Kojitani, Daniel M. Toebbens and Masaki Akaogi
High-pressure Raman spectroscopy, vibrational mode calculation, and heat capacity calculation of calcium ferrite-type MgAl (sub 2) O (sub 4) and CaAl (sub 2) O (sub 4)
American Mineralogist (January 2013) 98 (1): 197-206

Abstract

High-pressure micro-Raman spectroscopic measurements of calcium ferrite-type MgAl (sub 2) O (sub 4) and CaAl (sub 2) O (sub 4) were made using a diamond-anvil cell high-pressure apparatus. The pressure dependence of frequencies of 18 Raman peaks for calcium ferrite-type MgAl (sub 2) O (sub 4) and 26 Raman peaks for calcium ferrite-type CaAl (sub 2) O (sub 4) were determined up to 20 GPa at ambient temperature. The mode Gruneisen parameter for each observed Raman mode was obtained from the pressure dependence of frequencies. Vibrational mode calculations by first principles using density functional theory were also performed for assignment of Raman peaks and for estimating frequencies of Raman inactive modes. From the obtained mode Gruneisen parameters and the results of the vibrational mode calculations, thermal Gruneisen parameters were determined to be 1.50(5) for calcium ferrite-type MgAl (sub 2) O (sub 4) and 1.31(3) for calcium ferrite-type CaAl (sub 2) O (sub 4) . These thermal Gruneisen parameters were applied to heat capacity and vibrational entropy calculations using Kieffer model.


ISSN: 0003-004X
EISSN: 1945-3027
Coden: AMMIAY
Serial Title: American Mineralogist
Serial Volume: 98
Serial Issue: 1
Title: High-pressure Raman spectroscopy, vibrational mode calculation, and heat capacity calculation of calcium ferrite-type MgAl (sub 2) O (sub 4) and CaAl (sub 2) O (sub 4)
Affiliation: Gakushuin University, Department of Chemistry, Tokyo, Japan
Pages: 197-206
Published: 201301
Text Language: English
Publisher: Mineralogical Society of America, Washington, DC, United States
References: 33
Accession Number: 2013-010962
Categories: Mineralogy of non-silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 8 tables
Secondary Affiliation: University of Innsbruck, AUT, Austria
Country of Publication: United States
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Abstract, copyright, Mineralogical Society of America. Reference includes data from GeoScienceWorld, Alexandria, VA, United States
Update Code: 201308
Close Modal

or Create an Account

Close Modal
Close Modal