A series of BaAl2-xSixH2-x (0.4 < x < 1.6) hydrides with compositions and structures in between BaSi2 and BaAl2H2

作者：Moser D; Haussermann U; Utsumi T; Bjorling T; Noreus D^*

来源：Journal of Alloys and Compounds, 2010, 505(1): 1-5.

DOI：10.1016/j.jallcom.2010.05.065

• Aluminium hydrides
• Band gap
• X-ray powder diffraction

By substituting Si- with (Al-H)(-) in trigonal BaSi2, a series of hydrides has been synthesized with compositions BaAl2-xSixH2-x (0.4 < x < 1.6). OFF calculations show that the end compositions BaSi2 and BaAl2H2 are conductors whereas the intermediate BaAlSiH is a semiconductor. The cell parameters for the trigonal cell vary linearly as a function of the Si-/(Al-H)(-) substitution in this MgB2 related structure type, opening up the possibility of continuously tunable electric properties.

• 出版日期2010-8-27