Band Alignment of 2D Semiconductors for Designing Heterostructures with Momentum Space Matching

By V. O. Özçelik, Javad G. Azadani, Ce Yang, Steven J. Koester, Tony Low. 2016

256 citations recorded by the source corpus.

We present a comprehensive study of the band alignments of two-dimensional (2D) semiconducting materials and highlight the possibilities of forming momentum-matched type I, II, and III heterostructures, an enticing possibility being atomic heterostructures where the constituent monolayers have band edges at the zone center, i.e., $\mathrm{\ensuremath{\Gamma}}$ valley. Our study, which includes the group IV and III-V compound monolayer materials, group V elemental monolayer materials, transition-metal dichalcogenides, and transition-metal trichalcogenides, reveals that almost half of these materials have conduction and/or valence band edges residing at the zone center. Using first-principles density functional calculations, we present the type of the heterostructure for 903 different possible combinations of these 2D materials which establishes a periodic table of heterostructures.

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/467914c9d2049f3276eeed9bedc5d09462568dfa

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electronic, Optical and Magnetic Materials

In Materials Chemistry

Citations in the corpus

Polaritons in layered two-dimensional materials. (2016, background): “Many pairs of 2D materials are known to be compatible with the type-II band alignment[107] required for such situations.”