What is Silicon Lattice Constant? 

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Customer Inquiry: Epi Silicon and GaAs on Glass

Inquiry:
We are looking for glass substrates (2″ or 3″) with an epitaxial Si layer (thickness ~400 nm). I was wondering if this can be customized?

After considering further, it seems it might not be feasible to grow or deposit an epitaxial silicon layer directly on a glass substrate due to the lattice mismatch and other thermal/structural limitations.

Following additional discussion with my colleague, it appears that we only need to deposit a layer of amorphous silicon (a-Si) instead of epitaxial Si, due to its lower optical loss.

We would also like to check for another project: we are considering a layer of single-crystalline, undoped epitaxial GaAs (thickness ≈ 360 nm) on a fused-silica substrate (3″ or 4″). Would UniversityWafer be able to provide this, or should we request an MBE/MOCVD grower to perform the epilayer growth on a GaAs substrate and then conduct the wafer bonding ourselves?

UniversityWafer, Inc. Response:

“Let's try. Send us all your specs.”

Reference: #270980 for the result.

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Silicon Lattice

The silicon lattice constant defines the cubic unit cell dimension of crystalline Si — a foundation for understanding strain, mismatch, and epitaxial design. At 300 K, a = 5.431 Å. Knowing this value and its temperature dependence is critical for semiconductor device fabrication, wafer bonding, and heteroepitaxy on GaAs, SiGe, SiC, and GaN.

Did You Know?

  • The Si lattice expands only about 0.01 % per 40 °C rise in temperature.
  • GaAs is about 4 % larger than Si — creating tensile strain in heteroepitaxy.
  • SiGe alloys tune lattice spacing between pure Si and Ge for strain engineering.

Quick Reference

  • Structure: Diamond cubic (Fd-3m)
  • Lattice Constant (300 K): 5.431 Å (0.5431 nm)
  • Thermal Expansion: ≈ 2.6 × 10⁻⁶ K⁻¹
  • Density: 2.329 g/cm³
  • Bandgap: 1.12 eV (indirect)

Applications

  • Designing strain-balanced SiGe devices
  • Predicting GaN-on-Si mismatch and wafer bow
  • Modeling SiC or sapphire heterointegration
  • Optimizing crystal orientation for MEMS and photonics

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Silicon Lattice Constant

Silicon (Si) crystallizes in the diamond-cubic structure. The conventional cubic cell edge—its lattice constant—is a ≈ 5.431 Å (0.5431 nm) at 300 K. This parameter underpins interplanar spacing, diffraction, strain calculations, and lattice-mismatch estimates for heteroepitaxy.

Side-by-side diagram comparing epitaxial silicon on a substrate versus amorphous silicon on a substrate

Key Conversions

  • 1 Å = 0.1 nm = 1×10−10 m
  • Si a(300 K) ≈ 5.431 Å → 0.5431 nm → 5.431×10−10 m

Orientation & Planes

Wafer orientations (100), (111), and (110) describe the cut of the surface relative to the cubic axes; they do not change the bulk lattice constant. Orientation impacts surface atom density, oxide growth behavior, etch anisotropy, and device layout (flats/notches, miscut for step flow, etc.).

  • (100): CMOS standard; square symmetry; convenient for lithography and oxidation.
  • (111): Close-packed; used in MEMS and III–V/Si integration studies.
  • (110): Useful for mobility/channel engineering and some MEMS etch geometries.

Temperature Dependence

The lattice parameter a increases slightly with temperature due to thermal expansion. Around room temperature, the CTE is on the order of ~2.6×10−6 K−1 (rising with T). For routine engineering, use a 300 K reference and apply a linear or tabulated CTE over your range; for precision epitaxy/metrology, specify the measurement temperature.

Interplanar Spacing & Bragg Example

For cubic crystals, interplanar spacing is dhkl = a / √(h²+k²+l²). Bragg’s law: nλ = 2 d sin θ.

Si Reflection dhkl (Å) 2θ (Cu Kα, 1.5406 Å) Note
(111) 5.431/√3 ≈ 3.135 ≈ 28.4° Strong fundamental
(220) 5.431/√8 ≈ 1.920 ≈ 47.3° Allowed in diamond-cubic
(311) 5.431/√11 ≈ 1.638 ≈ 56.2° Allowed
(400) 5.431/4 ≈ 1.358 ≈ 69.0° Allowed

Selection rules: Silicon’s diamond-cubic (two-atom basis on fcc) exhibits systematic absences. Reflections like (100), (110), (210), etc., are forbidden; strong peaks include 111, 220, 311, 400, 331, 422….

SiGe Lattice (Vegard) & Strain

For Si1−xGex, an engineering estimate uses Vegard’s law: a(x) ≈ (1−x)aSi + x aGe (with a small bowing correction in precision work). Example: at x=0.20, a ≈ 0.8·5.431 + 0.2·5.658 ≈ 5.476 Å → mismatch to Si ≈ (5.476−5.431)/5.431 ≈ +0.83%.

Thin SiGe on Si remains pseudomorphic (strained) below a critical thickness; above it, relaxation introduces misfit dislocations. Use a critical-thickness model (e.g., Matthews–Blakeslee) in process planning, and verify with HRXRD/RSM.

Lattice Mismatch Examples (to Si)

Approximate comparisons at ~300 K using f=(afilm−aSi)/aSi:

Material Lattice Constant (Å) Mismatch to Si Notes
GaAs (zinc blende) ~5.653 ≈ +4.1% Buffers/compliant layers required
Ge (diamond) ~5.658 ≈ +4.2% Graded SiGe buffers common
InP (zinc blende) ~5.869 ≈ +8.1% Large tensile mismatch vs Si
3C-SiC (zinc blende) ~4.359 ≈ −19.7% Large compressive mismatch
GaN (wurtzite, ahex) ~3.189 (hex) Anisotropic GaN-on-Si uses engineered buffer stacks

Exact values depend on temperature, composition (alloys), and phase.

Practical Wafer Ordering Notes

  • Orientation tolerance: Typical spec ±0.5° (tighter on request). Miscut (e.g., 2–4° toward <110>) can aid step-flow epitaxy.
  • Diameter & flats/notches: Conform to SEMI standards for 100–300 mm; indicate primary/secondary flat orientation if needed.
  • Resistivity & type: CZ or FZ, p/n, and target ρ influence contamination and device behavior.
  • Surface: SSP/DSP, epi-ready polish, oxide/nitride capping if required for handling.
  • Metrology: Ask for XRD/RSM and thickness/roughness data if you plan lattice-sensitive epitaxy.

Metrology Notes

  • HRXRD: lattice parameter, strain/relaxation, reciprocal-space maps for tilted/strained layers.
  • Ellipsometry & AFM: thickness/roughness to support XRD modeling.
  • TEM/EDS (advanced): interface quality and defect analysis in heteroepitaxy.