AlN

Aluminum nitride · AlN

Aluminum nitride is a stable, wide-band-gap semiconductor widely used for its exceptional thermal conductivity and electrical insulation properties.

Crystal structure of AlN (hexagonal, P63mc (No. 186))
Ground-state structure · Materials Project
Overview

About Aluminum nitride

Aluminum nitride is a robust III-V semiconductor characterized by its wide-band-gap electronic structure. As a thermodynamically stable compound, it maintains structural integrity under extreme conditions, making it a critical material for high-performance electronics and heat management systems. Its unique combination of insulating properties and efficient thermal transport distinguishes it from many other semiconductors. The material is extensively documented, with hundreds of reported structural configurations reflecting its versatility in research and industrial applications. It serves as a foundational component in modern power electronics and light-emitting technologies where thermal dissipation is a primary design constraint.

At a glance

Key Properties

Cross-validated computational properties for Aluminum nitride, aggregated across 5 databases.

Band Gap

0.37–5.09 eV
Range across DFT structures · ground state: insulator

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
3 DFT sources

Structures

703
5 databases, 52 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of AlN. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.001 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for AlN, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63mc (No. 186)hexagonal4.470.0000-1.649—
P63mc (No. 186)hexagonal4.050.0000-9.6103.20
——4.450.0007-1.510—
F-43m (No. 216)cubic3.540.0204-1.629—
F-43m (No. 216)cubic3.300.0207-9.5893.27
——3.460.0214-1.489—
——3.580.0224-1.488—
P63/mmc (No. 194)hexagonal3.270.1153-9.4953.42
——3.560.1164-1.394—
——3.530.1170-1.394—
P63/mmc (No. 194)hexagonal3.690.1269-1.523—
——4.640.1717-1.339—
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting AlN.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Aluminum nitride is used.

Heat sinksSubstrates for microelectronicsOptoelectronic devicesPiezoelectric sensorsPower electronics
Intellectual Property

Patent Landscape

31 patents reference AlN or close compositional variants.

PatentTitleAssigneeGranted
4008111AlN masking for selective etching of sapphire——
7532481Al/AlN joint material, base plate for power module, power module, and manufacturing method of Al/AlN joint mat——
5370907Forming a metallized layer on an AlN substrate by applying and heating a paste of a metal composed of W and Mo——
5061663AlN and AlN-containing composites——
12208595AlN joined body——
4687657Fabrication of SiC - AlN alloys——
5272239Silicon-filled aluminum polymer precursors to SiC-AlN ceramics——
11014855Transparent AlN sintered body and method for producing the same——
9869422Method for preparing bulk C—AlN composite aerogel with high strength and high temperature resistance——
4591537Combination of AlN-Y.sub.2 O.sub.3 heat conductive ceramic substrate and electronic component——
Reference

Frequently Asked Questions

Common questions about Aluminum nitride, answered from cross-validated data.

What is AlN?

Aluminum nitride is a stable, wide-band-gap semiconductor widely used for its exceptional thermal conductivity and electrical insulation properties.

More questions
What is AlN used for?
Aluminum nitride (AlN) is used in heat sinks, substrates for microelectronics, optoelectronic devices, piezoelectric sensors, and power electronics.
What is the band gap of AlN?
Aluminum nitride (AlN) has a DFT-computed band gap of 0.37–5.09 eV across 703 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is AlN a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 5.09 eV (an insulator or wide-band-gap material).
Is AlN thermodynamically stable?
Yes — Aluminum nitride (AlN) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of AlN?
The reference structure of Aluminum nitride (AlN) is hexagonal symmetry, space group P63mc (No. 186).
How many polymorphs of AlN are known?
703 structures of AlN are reported across 5 databases, spanning 52 distinct space groups.
How is AlN synthesized?
Literature-reported routes for AlN include solid state (2 procedures documented).
What elements does AlN contain?
Aluminum nitride (AlN) contains Al and N (2 elements).
Where does the data for AlN come from?
AlN data is cross-referenced from jarvis, materials_project, oqmd, mpaloe.
Reading

Related Research

Comparison

How It Compares

Within the iii-v semiconductors class.

Within the family of III-V semiconductors, Aluminum nitride stands out for its superior thermal conductivity compared to siblings like GaN or InN. While many members of this class are primarily valued for their optoelectronic properties, AlN is uniquely positioned as both a semiconductor and an effective dielectric or heat-spreading substrate, offering a distinct balance of electronic and mechanical stability that sets it apart from softer or less thermally conductive counterparts like AlSb or InP.

Explore

Related Compounds

Other III-V Semiconductors in the database.

Data sources & attribution
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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