Coloured intermetallic compounds LiCu2Al and LiCu2Ga
作者： Vidyanshu Mishra , Abishek K Iyer , Dundappa Mumbaraddi , Anton O Oliynyk , Guillaume Zuber
DOI: 10.1016/J.JSSC.2020.121703
关键词: Absorption (chemistry) 、 Optical reflectance 、 Electronic band structure 、 Diffraction 、 Crystallography 、 Intermetallic 、 Fermi level 、 NMR spectra database 、 Spectral line 、 Materials science
摘要: Abstract The Li-containing intermetallic compounds LiCu2Al and LiCu2Ga were prepared by induction heating. Powder X-ray diffraction revealed cubic structures for these compounds: Li0·5CuAl0.5, CsCl-type ( P m 3 ¯ , Z = 1, a = 2.9283 (2) A); LiCu2Ga, Heusler or Cu2MnAl-type F Z = 4, a = 5.8617 (4) A). Solid-state 7Li NMR spectra confirmed that the Li atoms are situated on a single site rather than being disordered over multiple sites. Optical reflectance show absorption edges in visible region consistent with appearance of colour red LiCu2Al, yellow LiCu2Ga. Band structure calculations presence completely filled Cu 3d states, suggest interband transitions from top this narrow band (located around 2.5 eV below Fermi level) to empty bands responsible colour.
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