Large Number of Direct or Pseudo-Direct Band Gap Semiconductors among A₃TrPn₂ Compounds with A = Li, Na, K, Rb, Cs; Tr = Al, Ga, In; Pn = P, As.

ABSTRACT: Due to the high impact of semiconductors with respect to many applications for electronics and energy transformation, the search for new compounds and a deep understanding of the structure-property relationship in such materials has a high priority. Electron-precise Zintl compounds of the composition A₃TrPn₂ (A = Li - Cs, Tr = Al - In, Pn = P, As) have been reported for 22 possible element combinations and show a large variety of different crystal structures comprising zero-, one-, two- and three-dimensional polyanionic substructures. From Li to Cs, the compounds systematically lower the complexity of the anionic structure. For an insight into possible crystal-structure band-structure relations for all compounds (experimentally known

SUBMITTER: Zeitz S 

PROVIDER: S-EPMC11397444 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature