Orbital hybridizations versus the Fermi surface-Brillouin zone interaction in strongly hybridizing Al-Li-Cu 1/1-1/1-1/1 approximant

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 2, 2004, Pages

  Sato, Hirokazu ^a   Takeuchi, Tsunehiro ^b   Mizutani, Uichiro ^b  

^a AICHI UNIVERSITY OF EDUCATION   (Japan)

^b NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; COPPER; LITHIUM;

ARTICLE; CALCULATION; DENSITY; ELECTRON; FOURIER TRANSFORMATION; HYBRIDIZATION; WAVEFORM;

EID: 42749098693     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.024210     Document Type: Article

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22. One can see in Fig. 6(b) vacant pockets marked as "A" and "B" in the free electron dispersion curves at a wave number equal to 1 in the units of 2π/a at energies +3 and -4 eV, respectively. The effective mass was adjusted so as to locate these pockets at the same position as that derived from the LMTO-ASA band calculations, as shown in Fig, 6(a).
23. eff=1.44 in the present analysis without any justification.