most citedHigh pressure investigations on Hydrous Magnesium Silicate-Phase A using first principles calculations, H--H repulsion and O-H bond compression

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cond-mat.mtrl-sci2009★ 5 cited

High pressure investigations on Hydrous Magnesium Silicate-Phase A using first principles calculations, H--H repulsion and O-H bond compression

H. K. Poswal, Surinder M Sharma, S. K. Sikka

We have carried out first principles structural relaxation calculations on the hydrous magnesium silicate Phase A (Mg7Si2O8(OH)6) under high pressures. Our results show that phase…