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Is the Electronic Structure of Liquid Metals Free‐Electron‐Like or Bloch‐Electron‐Like?
Author(s) -
Halder N. C.,
Phillips K. C.
Publication year - 1982
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.2221110124
Subject(s) - rotation formalisms in three dimensions , electron , electronic structure , free electron model , perturbation theory (quantum mechanics) , bloch wave , density functional theory , condensed matter physics , function (biology) , physics , chemistry , computational chemistry , atomic physics , quantum mechanics , mathematics , geometry , evolutionary biology , biology
The electronic density of states (EDS) are calculated for liquid Na, Hg, Ga, Pb, Sn, and Bi. Calculations are performed using two formalisms: (i) second‐order perturbationtheory and (ii) the Green function theory. The EDS plots resulting from these two sets of calculations reveal that the perturbation calculations give consistently more structure than the Green function calculations. However, the general features of the two sets of calculations are the same and agree within their respective theoretical limitations and basic approximations. It is concluded that the electronic structure of liquid metals is neither free‐electron‐like nor Bloch‐electron‐like.