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SUMMARY:#StudentSeminar: Experimental and theoretical study of Zn2V2O7
DTSTART;VALUE=DATE-TIME:20210513T101500Z
DTEND;VALUE=DATE-TIME:20210513T111500Z
DTSTAMP;VALUE=DATE-TIME:20260429T095544Z
UID:indico-event-6261@indico.ific.uv.es
DESCRIPTION:This is a conference about the high-pressure structural behavi
 or of Zn2V2O7\, both experimentally and theoretically. A part of the talk 
 deals with how the experimental measurements and the results obtained are 
 carried out. The other part is a comparison of the experiments with theore
 tically performed calculations\, known as DFT calculations\, making a shor
 t introduction to these. We study the change with HP since ambient pressur
 e up to 15 GPa. Zinc pyrovanadate undergoes three phase transitions at 0.7
 \, 3.0\, and 10.8 GPa. The DFT calculus\, using the B3LYP\, HSE06 and PBE 
 functionals\, supports the existence of two phase transitions for pressure
 s smaller than 6 GPa.\n\nhttps://indico.ific.uv.es/event/6261/
LOCATION:Universe
URL:https://indico.ific.uv.es/event/6261/
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