Calculation of the pressure-induced insulator-metal transition of nitrogen
A A Helmy; A A Helmy; Dept. of Math. & Eng. Phys., Cairo Univ., Giza, Egypt
Журнал:
Journal of Physics: Condensed Matter
Дата:
1994-01-31
Аннотация:
Previous theoretical predictions of metallization below 1000 kbar are in apparent disagreement with the experimental fact that nitrogen is observed to remain a molecular solid up to 1300 kbar. The 0 K transition pressure from molecular to monatomic nitrogen is calculated using simple models and a well tested pair potential. The Computed coexistence pressure is found to be 1940 kbar with a volume change of 20 Bohr<sup>3</sup>/atom. Although there is some uncertainty (about 18%) in the calculated pressure, it is clear that non-molecular nitrogen could be studied at experimentally accessible pressures.
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