Open AccessBand inversion in half Heusler-type Na1-xCsxAlGe(0 x 1)
Author(s) -
XT Wang,
XF Dai,
HY Jia,
Wang Ly,
Xinmin Zhang,
YT Cui,
WH Wang,
Gai Wu,
GD Liu
Publication year - 2014
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.63.053103
Subject(s) - condensed matter physics , fermi level , doping , electronic band structure , materials science , semimetal , electron , lattice (music) , fermi gamma ray space telescope , valence band , inversion (geology) , physics , topology (electrical circuits) , band gap , quantum mechanics , mathematics , paleontology , structural basin , combinatorics , acoustics , biology
The influences of doping whit congeners on the band topology in half Heusler-type of NaAlGe alloys are investigated using the first-principles calculations. It is found that the Na1-xCsxAlGe alloys with a normal band order are converted into topological nontrivial phases when x is up to 0.125. We argue that it is the degree of hybridization between Al and Ge determine the band order at the Fermi level. The Na or Cs only plays a role of the valence electron contributor and influences the lattice parameter.