Premium
The Electronic Energy Bands of AgN0 2 Crystal at Room Temperature
Author(s) -
ElDib A. M.,
Hassan H. F.
Publication year - 1986
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.2221360118
Subject(s) - crystal (programming language) , linear combination of atomic orbitals , madelung constant , lattice (music) , atomic physics , band gap , materials science , energy (signal processing) , electronic structure , condensed matter physics , lattice energy , chemistry , molecular physics , physics , crystal structure , computational chemistry , crystallography , density functional theory , quantum mechanics , computer science , acoustics , programming language , basis set
The electronic energy bands of AgNO 2 crystals are calculated at room temperature in different directions. The calculations are carried out using a semiempirical LCAO method. The Madelung potentials at different lattice sites are also calculated. The general features of the electronic energy bands of AgNO 2 are similar to those of NaNO 2 in its ferroelectric phase. The minimum indirect energy gap ( E g ) equals to 2.522 eV, and occurs in the R‐T direction.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom