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Updated: Mar 7, 2026
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Band Alignment at GaN/Single-Layer WSe2 Interface
Malleswararao Tangi1, Pawan Mishra1, Chien-Chih Tseng1
1Photonics Laboratory, Computer, Electrical, and Mathematical Sciences and Engineering (CEMSE) Division, ‡Physical Science and Engineering (PSE) Division, and §Imaging and Characterization Laboratory, King Abdullah University of Science and Technology (KAUST) , Thuwal 23955-6900, Saudi Arabia.
Researchers investigated the band alignment of Gallium Nitride (GaN) thin films on single-layer (SL) Tungsten Diselenide (WSe2). This study quantifies band offsets, crucial for developing novel electronic and optoelectronic devices using these materials.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Heterojunctions between dissimilar materials are key to advanced electronic devices.
- Gallium Nitride (GaN) and transition metal dichalcogenides (TMDs) like Tungsten Diselenide (WSe2) are promising semiconductors.
- Understanding band alignment at GaN/WSe2 interfaces is critical for device design.
Purpose of the Study:
- To determine the band discontinuity at the GaN/single-layer WSe2 heterointerface.
- To provide essential band offset parameters for GaN/SL-WSe2 heterojunctions.
- To facilitate the integration of group III nitrides with TMDs for novel device applications.
Main Methods:
- Epitaxial growth of GaN thin films on chemically vapor deposited single-layer WSe2 using molecular beam epitaxy.
- Structural and optical characterization: atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence.
- Determination of band offsets via high-resolution X-ray photoelectron spectroscopy, electron affinities, and electronic bandgap measurements.
Main Results:
- Confirmation of single-layer WSe2 formation through comprehensive structural and optical analyses.
- Determination of valence band offset (VBO) as 2.25 ± 0.15 eV and conduction band offset (CBO) as 0.80 ± 0.15 eV.
- Identification of a Type II band alignment at the GaN/SL-WSe2 heterojunction.
Conclusions:
- The quantified band alignment parameters are essential for modeling GaN/WSe2 heterostructures.
- This work enables the rational design of next-generation electronic and optoelectronic devices.
- It paves the way for integrating group III nitrides with TMDs in advanced material systems.
