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Mono‐ and dilayer analogues of crystalline atomic hydrogen
Author(s) -
Wu J. Z.,
Sabin J. R.,
Trickey S. B.,
Boettger J. C.
Publication year - 1990
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560382485
Subject(s) - monatomic ion , bravais lattice , hydrogen , lattice (music) , chemistry , chemical physics , computational chemistry , crystallography , crystal structure , physics , organic chemistry , acoustics
As well as being of interest in their own right, many of the essential features of the lattice properties of crystalline atomic hydrogen should be interpretable in terms of the lattice properties of one‐ or two‐layer hydrogen films. Here we present optimized equilibrium lattice parameters for monatomic hydrogen one‐ and two‐layer films in several Bravais lattices as determined by all electron, full potential localdensity‐approximation calculations.