First-principles study of OH defects in zircon
Author:
Publisher
Springer Science and Business Media LLC
Subject
Geochemistry and Petrology,General Materials Science
Link
http://link.springer.com/content/pdf/10.1007/s00269-013-0591-7.pdf
Reference30 articles.
1. Balan E, Mauri F, Muller J-P, Calas G (2001) First principles study of water adsorption on the (100) surface of zircon: implications for zircon dissolution. Am Miner 86:910–914
2. Balan E, Lazzeri M, Saitta AM, Allard T, Fuchs Y, Mauri F (2005) First-principles study of OH stretching modes in kaolinite, dickite and nacrite. Am Miner 90:50–60
3. Balan E, Lazzeri M, Delattre S, Meheut M, Refson K, Winkler B (2007) Anharmonicity of inner-OH stretching modes in hydrous phyllosilicates: assessment from first-principles frozen-phonon calculations. Phys Chem Miner 34:621–625
4. Balan E, Refson K, Blanchard M, Delattre S, Lazzeri M, Ingrin J, Mauri F, Wright K, Winkler B (2008) Theoretical infrared absorption coefficient of OH groups in minerals. Am Miner 93:950–953
5. Balan E, Ingrin J, Delattre S, Kovacs I, Blanchard M (2011a) Theoretical infrared spectrum of OH-defects in forsterite. Eur J Miner 23:285–292
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