Metallization and molecular dissociation of dense fluid nitrogen
نویسندگان
چکیده
منابع مشابه
Molecular dissociation in hot, dense hydrogen.
W. R. Magro,1 D. M. Ceperley,2 C. Pierleoni,3 and B. Bernu4 1Theory Center and Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853 2National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 3Dipartimento di Fisica, Universita de L’Aquila I-67100 L’Aquila, Italy and INFM, sezi...
متن کاملComment on "Metallization of fluid nitrogen and the Mott transition in highly compressed low-Z fluids".
Electrical conductivities are reported for degenerate fluid nitrogen at pressures up to 180 GPa (1.8 Mbar) and temperatures of approximately 7000 K. These extreme quasi-isentropic conditions were achieved with multiple-shock compression generated with a two-stage light-gas gun. Nitrogen undergoes a nonmetal-metal transition at 120 GPa, probably in the monatomic state. These N data and previous ...
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We study metallization of molecular hydrogen under pressure using exact exchange (EXX) Kohn-Sham density-functional theory in order to avoid wellknown underestimates of band gaps associated with standard local-density or generalized-gradient approximations. Compared with the standard methods, the EXX approach leads to considerably (1 2 eV) higher gaps and significant changes in the relative ene...
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ژورنال
عنوان ژورنال: Nature Communications
سال: 2018
ISSN: 2041-1723
DOI: 10.1038/s41467-018-05011-z