Premium
Pressure Effect on Band Structure of Neon
Author(s) -
Zarochentsev E. V.,
Tolpygo K. B.,
Troitskaya E. P.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221270117
Subject(s) - brillouin zone , electronic band structure , hydrostatic pressure , neon , conduction band , electron , condensed matter physics , effective mass (spring–mass system) , atomic physics , thermal conduction , crystal (programming language) , hydrostatic equilibrium , atom (system on chip) , physics , chemistry , argon , classical mechanics , quantum mechanics , thermodynamics , computer science , embedded system , programming language
A study is made of an excess electron placed in a perfect Ne crystal subjected to hydrostatic compression. The conduction bands (excess electron energy spectrum) are calculated from first principles using the OPW method. The Phillips‐Kleinman potential is constructed using atom‐like Wannier functions. At normal pressure the band structure is very similar to that calculated by other methods which involve the expansion of the basis in plane waves and agrees well with available experimental data. As the crystal is compressed the conduction bands are deformed, they become broader in energy, the actual minimum remains in the centre of the Brillouin zone, and the effective mass at this point decreases.