1. Crystal structure and atomic arrangement
1.1 Atomic arrangement
<100> Crystal direction
- Surface atomic arrangement: atoms are arranged along the edge of the cube to form a square grid.
- Atomic density: the lowest (about atoms/cm²), the atomic distance is large, and the surface energy is high.
- Bonding direction: the surface atomic bonds are perpendicular to the crystal plane and have high chemical activity.
100 010 001
<110> Crystal surface
- Atomic arrangement: Arranged along the diagonal direction of the cube face to form a rectangular grid.
- Atomic density: Medium (about atoms/cm²).
- Bonding direction: The surface atomic bonds are tilted at 45°, with high mechanical strength.
1.2 Surface energy and chemical stability
<111> > <110> > <100> (Ranking of chemical stability)
- <111> The surface has the best corrosion resistance due to its high atomic density and strong bonding;
- <100> The surface atoms are loose and easily etched by chemicals (such as KOH).
2. Anisotropic behavior
2.1 Wet chemical etching (taking KOH as an example)
Crystal orientation | Etching rate (80℃, 30% KOH) | Etching morphology | Anisotropy ratio (<100>:<111>) |
<100> | ~1.4 μm/min | V-groove (sidewall 54.7°) | 100:1 |
<110> | ~0.8 μm/min | Vertical deep groove (sidewall 90°) | 50:01:00 |
<111> | ~0.01 μm/min | Flat surface (etch stop layer) | - |
- Key Mechanism: The etching rate of KOH on silicon is directly related to the degree of exposure of atomic bonds along the crystal direction.
- <100>: Atomic bonds are easily attacked by OH⁻, and the etching rate is fast;
- <111>: Atomic bonds are tightly shielded and almost unreactive.
2.2 Dry etching (such as plasma etching)
- The crystal orientation has little effect, but the <111> high-density surface may cause micro-masking effect and form local roughness.
3. Comparison of process characteristics
3.1 Oxide layer quality
Crystal orientation | SiO₂ defect density (cm⁻²) | Interface state density (cm⁻²·eV⁻¹) | Gate leakage current (nA/cm²) |
<100> | <1×10¹⁰ | ~1×10¹⁰ | <1 |
<111> | ~1×10¹¹ | ~1×10¹¹ | >10 |
<110> | ~5×10¹⁰ | ~5×10¹⁰ | ~5 |
- <100> Advantages: Low-defect oxide layer is a core requirement of CMOS devices.
3.2 Carrier mobility (300K)
Crystal orientation | Electron mobility (cm²/(V·s)) | Hole mobility (cm²/(V·s)) |
<100> | 1500 | 450 |
<110> | 1200 | 350 |
<111> | 900 | 250 |
- Reason: The <100> crystal plane matches the symmetry of the silicon lattice, reducing carrier scattering.
4. Mechanical and thermal properties
4.1 Mechanical strength <111> > <110> > <100>
- The fracture toughness is: 0.8 MPa·m¹/², 0.7 MPa·m¹/², 0.6 MPa·m¹/²
- Application example: MEMS pressure sensors mostly use <110> wafers because their fatigue resistance is better than <100>.
4.2 Thermal expansion coefficient
The anisotropy of silicon leads to differences in thermal expansion coefficients in different crystal directions:
- <100>: 2.6×10⁻⁶ /K
- <110>: 1.6×10⁻⁶ /K
- <111>: 0.5×10⁻⁶ /K
Impact: <111> wafers are prone to stress in high-temperature processes, and thermal budgets need to be carefully designed.
5. Application scenarios
5.1 <100> crystal orientation
- Integrated circuits (ICs): More than 95% of the world's logic chips (such as CPUs and DRAMs) use <100> wafers.
- Advantages: low interface state density, high carrier mobility, and oxide layer uniformity.
- Solar cells: Pyramid structure formed by anisotropic etching, with a reflectivity of <5%.
- Example: TSMC's 3nm process is based on <100> silicon, with a gate length of 12nm.
5.2 <110> Crystal Orientation
MEMS devices:
- Accelerometers: Use vertical deep grooves to make movable masses (aspect ratio >20:1).
- Pressure sensors: The piezoresistance coefficient is the largest in the <110> direction (e.g., the π₁₁ coefficient of silicon is 6.6×10^-11 Pa⁻¹).
- High-frequency devices: <110> silicon substrates can reduce lattice mismatch stress in GaAs epitaxial growth.
5.3 <111> Crystal Orientation
Optoelectronic devices:
- GaN epitaxial: High lattice match with <111> silicon (17% mismatch, compared to <100> 23%).
- Quantum dot arrays: High-density atomic planes provide ordered nucleation sites.
- Nanostructure templates: Used for AFM probe tips or nanowire growth.
6. Cost and industrial chain
Crystal orientation | Market share | Price (relative to <100>) | Standardized process maturity |
<100>> | 90% | Benchmark (1×) | Fully standardized |
<110> | ~5% | 2–3× | Partially customized |
<111> | <5% | 4–5× | Highly customized |
Cost drivers:
- <100> Wafers have the lowest cost due to economies of scale;
- <111> Wafers require special cutting and polishing processes.
Summary: The key basis for selecting crystal orientation
Demand | Recommended crystal orientation | Reasons |
High-performance CMOS | <100> | Low interface state density, high mobility, mature process chain |
MEMS deep trench structure | <110> | Vertical etching capability, high mechanical strength |
Optoelectronic devices/quantum materials | <111> | High chemical stability, lattice matching advantage |
Low-cost mass production | <100> | Scale effect, standardized supply chain |