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Lattice plane

In crystallography, a lattice plane refers to any plane within a three-dimensional crystal lattice that passes through at least three noncollinear lattice points, forming part of the symmetrical arrangement of atoms or molecules in a solid crystal structure.^[1] These planes intersect in sets of parallel orientations, defining the boundaries of the unit cell and influencing the overall geometry and symmetry of the crystal.^[2] The orientation and spacing of lattice planes are crucial for understanding crystal properties, as they determine how atoms are organized and interact within the lattice.^[3] Lattice planes are systematically described using Miller indices, a notation system denoted as (hkl), where h, k, and l are small integers representing the reciprocals of the intercepts of the plane with the crystallographic axes, scaled to the smallest integers.^[1] For example, the (100) plane is parallel to the b- and c-axes and intersects the a-axis at one unit length, while planes like (111) in face-centered cubic lattices represent densely packed atomic layers.^[2] This indexing convention allows for precise identification of plane families, denoted by {hkl}, which account for symmetry-equivalent orientations in the crystal.^[2] The significance of lattice planes extends to key applications in materials science and physics, particularly in X-ray diffraction, where the interplanar spacing (d) governs the diffraction patterns via Bragg's law: n\lambda = 2d \sin\theta, enabling the determination of crystal structures and atomic arrangements.^[4] In crystal growth and morphology, planes that intersect more lattice points tend to form more prominent faces, as per Bravais' law, affecting the external shape and stability of crystals.^[3] Furthermore, lattice planes play a role in defect analysis, such as dislocations, and in engineering materials with tailored properties, like semiconductors and metals.^[2]

Fundamentals

Definition

In crystallography, a crystal lattice is defined as a regular, repeating array of points in three-dimensional space, where each point represents the position of one or more atoms in a crystalline material.^[3] This lattice structure arises from the periodic arrangement of atoms, ions, or molecules that forms the basis of a crystal's long-range order.^[5] A lattice plane within this crystal lattice is an infinite plane that passes through at least three non-collinear lattice points, thereby intersecting multiple points in the periodic array. Unlike arbitrary planes in space, lattice planes are inherently periodic, with their orientation aligned to the repeating unit cell of the crystal, ensuring that the plane repeats the lattice's symmetry and contains an infinite series of parallel planes spaced at regular intervals.^[6] These planes are fundamental to describing the geometry and properties of crystals, as they reflect the internal atomic arrangement that governs phenomena such as diffraction and cleavage. Lattice planes are conventionally labeled using Miller indices, a notation system that specifies their orientation relative to the crystal axes.^[2] In a simple cubic lattice, common examples of lattice planes include the (100), (110), and (111) planes. The (100) plane is parallel to two of the principal axes (say, y and z), forming a square array of atoms where lattice points lie at the corners of squares with side length equal to the lattice parameter a.^[7] The (110) plane cuts diagonally across the cube, intersecting atoms in a rectangular pattern that includes points along the face diagonals./31%3A_Solids_and_Surface_Chemistry/31.02%3A_The_Orientation_of_a_Lattice_Plane_is_Described_by_its_Miller_Indices) Meanwhile, the (111) plane passes through the body diagonal, arranging atoms in a triangular or hexagonal close-packed configuration within the plane, maximizing atomic density among low-index planes in cubic systems.^[7] These examples illustrate how lattice planes vary in atomic packing and orientation, influencing the crystal's surface and bulk properties.

Historical Development

The concept of lattice planes in crystallography emerged in the early 19th century through the foundational work of René Just Haüy, a French mineralogist who proposed that crystals are built from repeating geometric units aligned along planar arrangements. In his 1801 treatise Traité de Minéralogie, Haüy described how the external faces of crystals arise from parallel planes of integral molecules, laying the groundwork for understanding internal symmetry and cleavage in minerals.^[8]^[9] This geometric approach shifted crystallography from descriptive morphology to a systematic theory of crystal structure, emphasizing planes as fundamental building blocks.^[10] The notation for specifying lattice planes advanced in the mid-19th century, with Carl Friedrich Naumann introducing an early symbolic system in 1826 to denote crystal faces relative to axes, though it was cumbersome for practical use. Building on this and prior efforts by figures like Friedrich Mohs and Auguste Lévy, William Hallowes Miller refined the system in 1839 with his Treatise on Crystallography, proposing the integer-based indices now known as Miller indices to concisely label planes by their intercepts on crystal axes.^[10]^[11] Miller's innovation standardized crystallographic description, enabling precise mapping of plane orientations and facilitating comparative studies across mineral species.^[10] The 20th century marked a pivotal shift with the discovery of X-ray diffraction, where lattice planes were directly linked to atomic-scale structure. In 1912, Max von Laue demonstrated that X-rays diffract off crystal lattices like a three-dimensional grating, confirming the planar periodicity hypothesized earlier and proving the wave nature of X-rays.^[12]^[13] Shortly after, William Henry Bragg and William Lawrence Bragg developed the reflection model in 1913, deriving Bragg's law to explain how X-rays constructively interfere at specific angles from parallel lattice planes, revolutionizing structure determination.^[14]^[15] By the late 1920s, the understanding of lattice planes evolved from purely geometric and diffraction-based descriptions to quantum mechanical frameworks in solid-state physics. Felix Bloch's 1928 theorem described electron wavefunctions in crystals as plane waves modulated by the periodic lattice potential, incorporating lattice planes into band theory to explain electronic properties like conductivity.^[16]^[17] This quantum perspective integrated atomic planes with wave mechanics, paving the way for modern applications in semiconductors and materials design.^[18]

Mathematical Description

Miller Indices

Miller indices provide a standardized notation for specifying lattice planes in a crystal structure, denoted as (hkl), where h, k, and l are small integers representing the reciprocals of the fractional intercepts of the plane with the crystallographic axes a, b, and c, respectively, reduced to the lowest terms by clearing fractions and using a common multiplier.^[19]^[20] This system, introduced by William Hallowes Miller in the 19th century, allows precise identification of planes without reference to absolute coordinates, facilitating comparisons across different crystal orientations.^[20] To determine the Miller indices for a given plane, first identify the intercepts of the plane with the a, b, and c axes, expressed as fractions of the unit cell lengths (Weiss parameters). Take the reciprocals of these intercepts to obtain 1/p, 1/q, 1/r, where p, q, r are the intercept values; if an intercept is at infinity (parallel to an axis), the reciprocal is 0. Multiply through by the least common multiple to yield integers h, k, l in their simplest ratio, ensuring no common divisor greater than 1. For example, a plane intercepting the a-axis at 1, and parallel to b and c (intercepts ∞), has reciprocals 1, 0, 0, yielding (100). Similarly, intercepts at 1/2, 1, ∞ give reciprocals 2, 1, 0, so (210). Negative intercepts result in negative indices.^[19]^[20]^[21] Notation conventions distinguish specific planes, directions, and equivalent sets: parentheses (hkl) denote a specific plane, such as (100); square brackets [hkl] specify a particular direction, like along the a-axis; angle brackets indicate a family of equivalent directions related by symmetry, e.g., <100> includes all permutations and sign changes; and curly braces {hkl} represent a family of equivalent planes, such as {100} encompassing (100), (010), (001), and their negatives. Negative indices are denoted with an overbar, written as (\bar{h}kl), to indicate the direction opposite to the positive axis.^[19]^[21]^[22] In cubic lattices, the three-index system suffices due to the high symmetry, with examples like (111) for the plane cutting all axes at unit length, or (110) for the face-centered plane parallel to c. For hexagonal lattices, the four-index Miller-Bravais notation (hkil) is used to reflect the three-fold basal symmetry, where i = -(h + k) to maintain equivalence among the a1, a2, a3 axes, and l corresponds to the c-axis; for instance, the basal plane is (0001), and a prism plane is (10\bar{1}0). This extension ensures consistent labeling in low-symmetry directions.^[23]^[21]^[20] The geometric interpretation links Miller indices to the reciprocal lattice: the normal vector to the (hkl) plane is given by \vec{n} = h \vec{a}^* + k \vec{b}^* + l \vec{c}^*, where \vec{a}^*, \vec{b}^*, \vec{c}^* are the reciprocal lattice basis vectors. The equation of the plane then takes the form \vec{r} \cdot \vec{n} = 1, with the spacing related to the inverse magnitude of \vec{n}. This vector form underscores how the indices directly correspond to components in reciprocal space, providing a foundation for further crystallographic analysis.^[24]

Interplanar Spacing

The interplanar spacing d_{hkl}, also known as the d-spacing, is defined as the perpendicular distance between two adjacent parallel lattice planes indexed by Miller indices (hkl) in a crystal structure.^[25] This metric is fundamental in crystallography for characterizing the geometry of atomic arrangements and is directly applicable in techniques like X-ray diffraction, where it determines the positions of diffraction peaks via Bragg's law.^[26] For cubic lattices, the interplanar spacing is derived from the geometry of the unit cell. Consider a cubic lattice with lattice parameter a. The (hkl) plane intersects the axes at distances a/h, a/k, and a/l from the origin. The equation of the plane is \frac{x}{a/h} + \frac{y}{a/k} + \frac{z}{a/l} = 1, or h x / a + k y / a + l z / a = 1. The normal vector to the plane is \vec{n} = (h/a, k/a, l/a), with magnitude |\vec{n}| = \sqrt{h^2 + k^2 + l^2}/a. The perpendicular distance from the origin to the plane (assuming it passes through the origin for the adjacent plane) gives the spacing between parallel planes as d_{hkl} = \frac{a}{\sqrt{h^2 + k^2 + l^2}}.^[26] This formula arises because the reciprocal of the spacing is the magnitude of the vector normal to the planes, scaled by the lattice parameter.^[25] In orthorhombic lattices, where the axes are perpendicular but of unequal lengths a, b, and c, the formula generalizes to account for the different dimensions: \frac{1}{d_{hkl}^2} = \frac{h^2}{a^2} + \frac{k^2}{b^2} + \frac{l^2}{c^2}.^[25] This expression is obtained by extending the cubic derivation, replacing the uniform scaling with axis-specific terms, as the normal vector components are now weighted by the inverse squares of the lattice parameters. For more general crystal systems, such as triclinic lattices with oblique angles, the formula is extended using the reciprocal metric tensor g^{ij}, where \frac{1}{d_{hkl}^2} = h_i g^{ij} h_j, with h_i = (h, k, l) and g^{ij} incorporating both lengths and angles between axes.^[27] The metric tensor elements are derived from the direct lattice vectors, ensuring the spacing reflects the full anisotropy of the structure.^[27] To illustrate, consider face-centered cubic (FCC) gold with experimental lattice parameter a = 4.08 Å. For the (100) planes, h=1, k=0, l=0, so d_{100} = \frac{4.08}{\sqrt{1^2 + 0^2 + 0^2}} = 4.08 Å. For the (111) planes, h=1, k=1, l=1, so d_{111} = \frac{4.08}{\sqrt{1^2 + 1^2 + 1^2}} = \frac{4.08}{\sqrt{3}} \approx 2.36 Å. These values highlight how higher-index planes have smaller spacings, influencing diffraction patterns in materials analysis.^[28] The interplanar spacing is intrinsically linked to the reciprocal lattice, where d_{hkl} = \frac{1}{|\vec{G}_{hkl}|} and \vec{G}_{hkl} is the reciprocal lattice vector corresponding to the (hkl) planes.^[29] This relation stems from the Fourier transform nature of the reciprocal lattice, with \vec{G}_{hkl} perpendicular to the planes and its magnitude inversely proportional to the spacing.

Properties

Atomic Density

The planar atomic density, often denoted as \rho_{hkl} for a plane with Miller indices (hkl), is defined as the number of atoms whose centers lie on that crystallographic plane divided by the area of the plane. This measure quantifies the surface packing of atoms and is calculated by determining the equivalent number of atoms contributed to the plane from the unit cell, accounting for sharing among adjacent cells (e.g., corner atoms contribute 1/4, face-center atoms contribute 1/2), and dividing by the corresponding plane area within the unit cell.^[30]^[31] For cubic lattices, the planar atomic density is given by \rho_{hkl} = \frac{\text{number of atoms per plane}}{\text{area of plane}}, where the plane area is derived from the lattice parameter a. In body-centered cubic (BCC) structures, for example, the (100) plane intersects four corner atoms, each contributing 1/4 to the plane, for a total of 1 atom over an area of a^2, yielding \rho_{100} = \frac{1}{a^2}. This density reflects the sparser packing on such planes compared to more densely populated orientations in the same lattice.^[30] In face-centered cubic (FCC) lattices, the (100) plane includes contributions from four corner atoms (1/4 each, totaling 1) and one face-center atom (full contribution), for 2 atoms over an area of a^2, so \rho_{100} = \frac{2}{a^2}. By contrast, the (111) plane, which is close-packed, intersects three corner atoms (1/6 each, totaling 0.5) and three face-center atoms (1/2 each, totaling 1.5), for 2 atoms over an area of \frac{\sqrt{3}}{2} a^2, resulting in the higher density \rho_{111} = \frac{2}{\frac{\sqrt{3}}{2} a^2} = \frac{4}{\sqrt{3} a^2} \approx \frac{2.31}{a^2}. This comparison highlights how the (111) plane achieves approximately 15% greater atomic density than the (100) plane, influencing surface energetics and reactivity.^[30] The general method for computing planar atomic density involves identifying atom positions intersected by the plane using unit cell contributions and calculating the plane area from lattice geometry, sometimes incorporating interplanar spacing to relate volume and surface metrics. Factors such as lattice type significantly affect density; for instance, close-packed planes like {111} in FCC exhibit the highest densities due to maximal atomic coordination, whereas BCC structures generally show lower densities on equivalent indices because of their less efficient packing.^[30]^[32] Planar atomic density plays a key role in materials science, particularly for surface properties, as higher-density planes like FCC {111} facilitate greater adsorption sites for catalysis and exhibit preferred slip behavior during deformation due to their dense atomic arrangement, impacting ductility and strength.

Orientation and Symmetry

Lattice planes are oriented relative to the crystal axes through their normal vector \vec{n} = (h, k, l), where the Miller indices h, k, and l specify the direction perpendicular to the plane in direct space.^[33] This normal vector is parallel to the reciprocal lattice vector \vec{G}_{hkl} = h \vec{a}^* + k \vec{b}^* + l \vec{c}^*, where \vec{a}^*, \vec{b}^*, and \vec{c}^* are the reciprocal basis vectors, confirming that \vec{G}_{hkl} is perpendicular to the (hkl) plane.^[24] In cubic systems, this orientation simplifies such that the [hkl] direction is directly normal to the (hkl) plane.^[33] The symmetry of lattice planes arises from the point group operations of the crystal system, which generate families of equivalent planes denoted by curly braces, such as {hkl}.^[34] In cubic crystals, the {100} family comprises six equivalent planes—(100), (010), (001), (\bar{1}00), (0\bar{1}0), and (00\bar{1})—related by rotations and reflections of the cubic point group.^[34] These symmetries ensure that properties like surface energy or reactivity are identical for planes within the same family. To visualize plane orientations, pole figures employ stereographic projections, mapping the normals (poles) of lattice planes onto a two-dimensional plane from a hemispherical projection, often using equal-area methods to represent orientation distributions accurately.^[35] Certain low-index lattice planes exhibit special roles due to their high atomic density and weak interlayer bonding. Cleavage planes, typically low-index like {100} or {110}, are those along which crystals fracture preferentially under stress because of reduced bonding strength between planes.^[36] In contrast, slip planes, such as {111} in face-centered cubic crystals, facilitate plastic deformation by allowing layers of atoms to glide relative to one another during mechanical loading, with the highest atomic density minimizing resistance to shear.^[36] The inclination between two lattice planes (h₁k₁l₁) and (h₂k₂l₂) is quantified by the angle \theta, where

\cos \theta = \frac{h_1 h_2 + k_1 k_2 + l_1 l_2}{\sqrt{(h_1^2 + k_1^2 + l_1^2)(h_2^2 + k_2^2 + l_2^2)}}

This formula, derived from the dot product of their normal vectors, applies directly in cubic systems but requires adjustment via the metric tensor for lower-symmetry crystals.^[27]

Applications

Diffraction Analysis

Lattice planes play a central role in diffraction techniques, where they act as periodic arrays that scatter X-rays or electrons constructively under specific conditions, enabling the determination of crystal structures. In X-ray diffraction, incident waves interfere with scattered waves from atoms in these planes, producing diffraction patterns that reveal atomic arrangements. The interplanar spacing d_{hkl} directly influences the scattering geometry.^[37] Bragg's law describes the condition for constructive interference from a set of lattice planes: n\lambda = 2 d_{hkl} \sin \theta, where n is an integer, \lambda is the wavelength, d_{hkl} is the spacing between planes with Miller indices (hkl), and \theta is the angle between the incident beam and the planes. This equation arises because the lattice planes function as reflective gratings for the waves; the path difference between waves scattered from adjacent planes must equal an integer multiple of the wavelength for reinforcement. Derivation follows from considering the extra path length $2 d_{hkl} \sin \theta for the reflected ray, set equal to n\lambda.^[14]^[38] The Laue equations provide a vector formulation of diffraction conditions, equivalent to Bragg's law but expressed in reciprocal space: \vec{k}_f - \vec{k}_i = \vec{G}_{hkl}, where \vec{k}_i and \vec{k}_f are the incident and scattered wave vectors (with |\vec{k}_i| = |\vec{k}_f| = 2\pi / \lambda), and \vec{G}_{hkl} = 2\pi (h \vec{a}^* + k \vec{b}^* + l \vec{c}^*) is the reciprocal lattice vector corresponding to the (hkl) planes. These three scalar equations (one per dimension) ensure that diffraction occurs only when the scattering vector matches a reciprocal lattice vector, specifying the planes involved./03:_X-rays/3.18:_Laue_equations) In powder diffraction, a polycrystalline sample produces cones of diffracted beams that intersect a detector as rings, with each ring's position corresponding to a specific (hkl) plane via Bragg's law; indexing assigns Miller indices to peaks by matching observed $2\theta angles to calculated d_{hkl} values from possible lattice parameters. Single-crystal methods, such as the rotating crystal technique, involve rotating a crystal in a monochromatic beam to bring different planes into the Bragg condition sequentially, recording spots on film or a detector to map the reciprocal lattice.^[39] For example, in sodium chloride (NaCl), which has a face-centered cubic structure with lattice parameter a = 5.64 Å, the (200) planes have spacing d_{200} = a/2 = 2.82 Å. Using Cu Kα radiation (\lambda = 1.54 Å) and n=1, Bragg's law gives \sin \theta = \lambda / (2 d_{200}) = 1.54 / 5.64 \approx 0.273, so \theta \approx 15.8^\circ (or $2\theta \approx 31.6^\circ), corresponding to a prominent peak in the diffraction pattern.^[40]^[41] Diffraction intensity from (hkl) planes is modulated by the structure factor F_{hkl}, which accounts for atomic positions and scattering amplitudes; if F_{hkl} = 0, the reflection is forbidden and absent from the pattern. In face-centered cubic lattices like NaCl or metals such as copper, reflections like (100) are forbidden because the basis atoms cause destructive interference (F_{100} = 0), while (200) is allowed (F_{200} = 4(f_\text{Na} + f_\text{Cl})). This systematic absence aids in structure identification.

Materials Science and Engineering

In materials science and engineering, lattice planes play a critical role in texture analysis, which quantifies the preferred orientation of crystallographic planes in polycrystalline materials to understand and predict anisotropic mechanical properties. In metals such as rolled aluminum alloys, texture development leads to non-random distributions of grain orientations, resulting in directional variations in strength, ductility, and formability. This preferred orientation is commonly measured using pole figures, which map the distribution of plane normals relative to sample coordinates, revealing intensity concentrations that indicate anisotropy; for instance, strong {111} fiber textures in face-centered cubic (FCC) metals enhance deep-drawing performance by aligning close-packed planes favorably for deformation.^[42] Lattice planes also define slip systems, the fundamental units of plastic deformation where dislocations glide on specific planes under applied stress. In FCC crystals like copper and aluminum, the close-packed {111} planes serve as primary slip planes due to their high atomic density, which minimizes the energy barrier for dislocation motion along <110> directions, enabling 12 possible slip systems that accommodate general shape changes without cracking. The selection of these planes is influenced by atomic density, as higher planar density facilitates easier glide by reducing interatomic resistance. This mechanism governs work hardening and yield strength; for example, during tensile deformation, initial slip on {111} planes leads to stage I easy glide, followed by multi-slip interactions that increase flow stress.^[43]^[44] In surface science, lattice planes determine cleavage behavior and etching kinetics, directly impacting fracture toughness and processing outcomes in engineering materials. Cleavage preferentially occurs along low-index planes with weaker interplanar bonds, such as {110} in body-centered cubic (BCC) intermetallics like NiAl, where fracture toughness is lowest (approximately 4.5 MPa√m) compared to {100} planes (8.3 MPa√m), leading to brittle failure under tensile loads even when stresses are not maximal on those planes. Etching rates vary inversely with plane density; in silicon, KOH etches {110} planes hundreds of times faster than {111} planes due to higher dangling bond density on the former, enabling anisotropic micromachining for device fabrication. These plane-specific properties influence overall material reliability, as cleavage along high-energy planes can deflect cracks and enhance toughness in ceramics like sapphire.^[45]^[46]^[47] A key application is in semiconductor engineering, where wafer orientation affects device performance through differences in surface bonding and interface quality. Silicon (100) wafers are preferred for metal-oxide-semiconductor field-effect transistors (MOSFETs) over (111) orientations because the (100) surface exhibits fewer dangling bonds and lower interface trap densities at the Si/SiO₂ interface, reducing threshold voltage instability and significantly improving carrier mobility in n-channel devices. In contrast, (111) surfaces have denser atomic arrangements with more strained bonds, leading to higher defect states that degrade electrical performance in high-frequency applications.^[48] In nanomaterials, lattice planes control faceting and stability, allowing tailored shapes for enhanced properties. Nanoparticles of FCC metals like gold preferentially expose low-energy {111} facets during synthesis, as these planes minimize surface free energy; for example, branched Au nanostructures grown on graphene oxide scaffolds exhibit dominant {111} facets confirmed by high-resolution transmission electron microscopy, improving catalytic activity for CO oxidation by exposing more active sites. This faceting strategy extends to other nanomaterials, where thermodynamic control selects planes with the lowest surface energy to stabilize high-surface-area structures for applications in catalysis and energy storage.^[49]

Advanced Topics in Solid-State Physics

In solid-state physics, lattice planes in the direct crystal lattice play a fundamental role in reciprocal space, where each family of parallel planes corresponds to a specific point in the reciprocal lattice. The reciprocal lattice vector \mathbf{G}_{hkl} is perpendicular to the (hkl) plane and has a magnitude |\mathbf{G}_{hkl}| = 2\pi / d_{hkl}, with d_{hkl} denoting the interplanar spacing, establishing a direct geometric duality between real-space planes and momentum-space points. This correspondence underpins the construction of Brillouin zones, which are the primitive cells of the reciprocal lattice defined by the Wigner-Seitz method; the boundaries of the first Brillouin zone consist of Bragg planes that bisect the lines connecting a reciprocal lattice point to its nearest neighbors, perpendicular to the reciprocal lattice vectors.^[50] These zones delineate the unique range of wavevectors \mathbf{k} for describing electronic and vibrational states in periodic potentials, ensuring that wavefunctions remain Bloch-like within the zone.^[51] Lattice plane orientations significantly influence the electronic band structure, particularly through their impact on Fermi surface projections and carrier effective masses. In anisotropic crystals, the curvature of energy bands near the Fermi level varies with direction relative to specific planes, leading to orientation-dependent effective masses m^* that govern carrier transport; for instance, projections of the Fermi surface onto high-symmetry planes like (100) or (111) in cubic lattices reveal ellipsoidal distortions, altering mobility along those orientations.^[52] This anisotropy arises because the periodic potential modulated by lattice planes folds the free-electron bands at Brillouin zone boundaries, modifying the dispersion E(\mathbf{k}) and thus the second derivatives that define m^*_{ij} = \hbar^2 / (\partial^2 E / \partial k_i \partial k_j). Such effects are crucial in materials like semiconductors, where plane-specific symmetries dictate the overall band topology and quasiparticle dynamics. Phonons, as quantized lattice vibrations, are described by plane-wave-like normal modes that propagate across lattice planes, contributing to the phonon dispersion relation \omega(\mathbf{q}). In the harmonic approximation, atomic displacements in a mode with wavevector \mathbf{q} involve coherent motion of entire planes of atoms for propagation along high-symmetry directions, such as in cubic crystals, where planes shift in phase to yield longitudinal or transverse branches.^[53] The dispersion curves exhibit folding at Brillouin zone boundaries due to the reciprocal lattice periodicity, with gaps arising from interactions between waves reflected by lattice planes, as captured in the Born-von Kármán model.^[54] This plane-wave description across planes enables the calculation of thermal and elastic properties, highlighting how vibrational modes couple to electronic states via electron-phonon interactions. A representative example of plane-specific effects occurs in graphene, a two-dimensional hexagonal lattice, where zigzag and armchair edge terminations—arising from distinct cuts of the basal (0001) plane—profoundly affect electronic conductivity. Zigzag edges host localized edge states near the Fermi level due to flat bands in the projected density of states, leading to suppressed conductance from backscattering and magnetic instabilities, whereas armchair edges gap these states, resulting in semiconducting behavior with higher isotropic transport.^[55] These differences stem from the symmetry of the hexagonal lattice planes: zigzag terminations preserve sublattice imbalance, enabling zero-energy states, while armchair edges mix sublattices, opening a band gap proportional to the ribbon width. In topological insulators, specific lattice planes host protected surface states that embody nontrivial bulk topology. For Bi_2Se_3, the (001) plane exhibits a single Dirac cone in the surface Brillouin zone, arising from spin-momentum locking and time-reversal symmetry, which confines helical electrons to the surface while the bulk remains insulating.^[56] These states are robust against perturbations, enabling dissipationless edge transport, and their linear dispersion E = \hbar v_F |\mathbf{k}| (with Fermi velocity v_F \approx 5 \times 10^5 m/s) directly probes the topological invariant of the material.^[57]

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Lattice planes are represented by the vector that is normal (perpendicular to them), these are 3D vectors in reciprocal (or dual) space (reciprocal space is ...
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Prediction of Au lattice constant in SC, FCC and HCP crystal ...
Feb 27, 2020 · In this post, optimal lattice parameters of gold(Au) are analytically derived using Density Functional Theory(DFT) methods.
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[PDF] Introduction to Solid State Physics, 8th Edition Charles Kittel
CHAPTER 2: WAVE DIFFRACTION AND THE RECIPROCAL LATTICE. Diffraction of ... interplanar spacing is. hkA. ˆn. 1. ˆ /h. ⋅n a . But. , whence . (c) For a simple ...
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[PDF] chapter 3 fundamentals of crystallography problem solutions
4.57 (a) Derive planar density expressions for FCC (100) and (111) planes in terms of the atomic radius R. (b) Compute and compare planar density values for ...
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Linear Density and Planar Density - with Solved Example Problems
The planar density of a crystal is the density of atoms in a crystal plane. This is defined as the number of atoms per unit area on a crystal plane. This ...
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[PDF] CHAPTER 3: CRYSTAL STRUCTURES & PROPERTIES
• In FCC, the close-packed planes are the {111} planes, and the close-packed directions are the <110> direction. • In HCP, the close-packed planes are the (0001) ...
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The pole figure is defined as a two-dimensional stereographic projection that illustrates the variation of pole density with pole orientation for a selected set ...
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Crystals and Their Slip Systems - Stanford Advanced Materials
Jul 24, 2025 · A slip system consists of a combination of a slip plane and a slip direction. The slip plane is the plane with the highest atomic density ...
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X-ray reflection in accordance with Bragg's Law
Solving Bragg's Equation gives the d-spacing between the crystal lattice planes of atoms that produce the constructive interference. A given unknown crystal is ...
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Bragg's Law
This satisfies the conditions of Bragg's law for diffraction of the x-rays from the crystal lattice planes.
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Powder diffraction/Indexing powder patterns - classe
Indexing the pattern is a process where each peak is identified by the (hkl) Miller-index of the lattice plane that it results from.
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nglos324 - nacl
The crystal lattice parameter is 0.563 nm. The diagram shows both a unit cell with ion locations indicated (a) and a space filling model (b) of ionic hard ...
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[PDF] X-ray Diffraction (XRD)
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Visualization of texture components using MTEX - PMC - NIH
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Slip in Single Crystals (all content)
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Slip Plane - an overview | ScienceDirect Topics
A slip plane is a specific plane within a crystal lattice where permanent displacement occurs during plastic deformation, typically with the greatest atom ...
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[PDF] Generalized Reliability Methodology Applied to Brittle Anisotropic ...
frequently fracture along specific planes defined by the crystal structure, even when the externally applied stresses are not a maximum on the specific planes.
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[PDF] Printable Single-Crystal Silicon Micro/Nanoscale Ribbons, Platelets ...
Aug 28, 2007 · difference in etching rate rests in the lower density of atoms and higher density of dangling bonds on the {110} planes than the {111} planes.
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[PDF] the effect of crystallographic orientation on ductile material removal ...
For silicon, the fracture toughness is found to vary with the crystal plane orientation. Chen and Leipold give the values of fracture toughness in certain ...
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[PDF] Transport Enhancement Techniques for Nanoscale MOSFETs
Unlike silicon, for which (100) wafer orientation is known to provide the best theoretical electron mobility and at the same time the best interface quality ...
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[PDF] Reciprocal Space and Brillouin Zones in Two and Three Dimensions
the sets of planes that are perpendicular bisectors to the lattice vectors connecting the origin in k-space to its nearest neighbor reciprocal lattice points.
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[PDF] MORE RECIPROCAL SPACE - Non-secure http index page
Oct 12, 2011 · •The Brillouin zone is just the Wigner-Seitz cell in reciprocal space. •The boundaries of the Brillouin zone are Bragg planes. •The ...Missing: corresponding | Show results with:corresponding
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[PDF] arXiv:1405.6898v1 [cond-mat.mtrl-sci] 27 May 2014
May 27, 2014 · Thus, although the 2D electronic structure (effective masses, orbital order- ing) depends on the surface orientation, the thickness and carrier ...
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[PDF] Lecture-7-phonons-normal-modes.pdf - IISc Physics
Valid for high-symmetry planes like [100], [110], [111] of a cubic lattice – for wave propagating along this direction entire planes of atoms move in phase ...
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[PDF] 1 Phonon I: lattice waves - bingweb
Feb 18, 2019 · Abstract. A lecture note on the lattice waves in the solid is presented. In a crystal each atom are coupled with the neighboring atoms by ...
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Jan 14, 2009 · The most studied edges, zigzag and armchair, have drastically different electronic properties. Zigzag edges can sustain edge (surface) states ...
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Aug 9, 2010 · We report the direct observation of Landau quantization in B i 2 ⁢ S e 3 thin films by using a low-temperature scanning tunneling microscope.Missing: (001) paper