Example 1.1: Calculate the Number of Copper Atoms Present in a Cylinder That Has a Diameter and a Height Both Equal to 1 Μm
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Example 1.1: Calculate the number of copper atoms present in a cylinder that has a diameter and a height both equal to 1 µm. The mass density of copper is 8.93 x 103 kg/m3 and its atomic mass is 63.55 g/mol. Solution: a) The volume of the copper cylinder is given by: 3.14 x (0.5 x 10-6)2 x 1 x 10-6 m3 = 0.78 x 10-18 m3; b) Its mass is: 8.93 x 103 kg/m3 x 0.78 x 10-18 m3 = 7.96 x 10-15 kg = 7.96 x 10-12 g; c) The number of copper atom present is: 7.96 x 10-12 g x 6.02 x 23 atoms/mol /63.55 g/mol = 6.64 x 1010 atoms. (This problem shows the relatively large number of copper atoms present in a small volume.) Example 1.2: a) Give the electronic configurations of the sodium and chlorine atoms (expressed in terms of the s-orbits and p-orbits); and b) repeat this for their ions. Solution: a) The electronic configuration of the atoms can be obtained from a standard chemistry handbook. They are: Na: 1s2, 2s2, 2p6 and 3s1 and Cl: 1s2, 2s2, 2p6, 3s2, 3p5. (In this configuration, the superscript indicates the number of electrons present in the energy orbits.) Note that both Na and Cl are monovalent. b) In the ion forms: Na+ : 1s2, 2s2 and 2p6 and Cl- : 1s2, 2 s2, 2p6, 3s2, 3p6. In the ions, both the s- and p-orbits are completely filled. This type of electronic configuration (similar to that of the inert gas) will make the ionic solid relatively stable. Example 1.5: Compute the attractive force between a Na+ ion and a Cl- ion at T = 300K. Solution: From Table 1.1 (300K), we find that the ion separation = (0.098 + 0.181) nm = 0.279 nm. 9 Using Eq.(1) in the text, the attractive force is given by: Fa = - 9 x 10 Vm/C x (1.6 x 10-19 C)2/(0.279 x 10-9 m)2 = - 2.96 x 10-9 N. The negative sign indicates an attractive force. Example 1.7: Assuming a 1-dimensional solid, the electrostatic attraction between the neighboring ions produces a potential energy given by: 2 EPE(a) = - 1.75 q /(4πεoa), where a is the ion separation. a) Determine ao , the equilibrium separation, if EPE(ao) = - 0.662 eV; and, b) determine the 4 constant A if the potential due to repulsion has the form: Er(a) = A/a . Solution: 2 a) Making use of the equation provided: ao = - 1.75 q /(4πεoEPE(ao)) = 1.75 x (1.6 X 10-19C)2/(4 x 3.14 x 8.85 x 10-12 F/m x 0.662 x 1.6 x 10-19 V) = 3.8 x 10-9 m. 2 4 b) The totall energy is given by: E’pe(a) = - 1.75 q /(4πεoa) + A/a . 2 2 At equilibrium, dE’PE(a)/da = 0 and this leads to: A = 1.75 q /(4πεoao ) x 5 -19 2 -12 -9 2 ao /4 = 1.75 x (1.6 X 10 ) /(4 x 3.14 x 8.85 x 10 F/m x (3.8 x 10 ) ) x (3.8 x 10-9)5/4 = 5.52 x 10-54 J.m4. (This problem evaluates the equilibrium bond length and bond energy for a 1-dimensional ionic solid. The factor 1.75 actually accounts for the effect of the more distant ions). 2 Example 1.9: Calculate the minimum radius ratio for two different types of ions present in a solid if the coordination number is 8. Solution: Consider a simple cube with dimension ao. If the smaller ion (with radius r) is placed at the center and ions of the opposite type (with radius R’) placed in the corners, automatically we have a structure with a coordination number of 8. In addition, for a close-packed structure, we have: The body diagonal of the cube = √3 x ao = 2 x (r + R’), and ao = 2R’. Eliminating ao from these equations gives: 1 + r/R’ = √3 = 1.732, or r/R’ = 0.732. (Note that if r/R’ is smaller, it will be no longer possible to put in the 8 neighboring ions and yet maintain the close-packed structure.) 3 Example 1.18: a) Determine the number of lattice points present in a fcc unit cell, and b) draw a primitive cell within the unit cell. Solution: a) There are 4 lattice points in the unit cell. b) The primitive cell is shown in Fig.E1.6. Example 1.21: For a cubic crystal structure, draw a) the [1 1 1], [1 3 3 ], and [2 3 6] lattice directions, and b) the (1 1 1), (2,3,4), and (3 2 1) lattice planes. Solution: a) See Fig. E1.10a. b) See Fig.E1-10b. For the (1 1 1) plane, the lattice interceptions should be: 1, 1, 1. For the (2 3 4) plane, they should be: 1, 2/3, 1/2. For the (3 2 1) plane, they should be: 1, 3/2, 3. Example 1.22: a) Determine which of the planes in the fcc crystal structure have the highest density of atoms, and b) evaluate its value for copper. The lattice constant of copper is 0.362 nm. Solution: a) The highest density planes for the fcc crystal structure are the {1 1 1} planes. Note that they also have the shortest interplane distance. b) There is a total of 2 atoms in the (1 1 1) plane in the unit cell. Its area 2 2 2 = 1/2 x √(3/2) x (√2 x ao) = √3/2 x ao = 0.866 ao . Therefore, the density of the copper atoms in the (1 1 1) plane is 2/(0.866 x (0.362 nm)2) = 17.62 atoms/nm2. 4 Example 1.24: Calculate the atomic density of α-Fe which has bcc crystal structure. Note that metals have a close-packed structure. Solution: For the bcc crystal structure, the ratio of the lattice constant to the atomic radius is 4/√3. Since rFe = 0.124 nm, ao = 4/√3 x 0.124 nm = 0.286 nm. 3 Since there are 2 atoms per unit cell, the atomic density of α-Fe is 2/ao = 2/(0.286 x 10-9)3 /m3 = 8.55 x 1028 /m3. Example 1.25: Fig. E1.13 shows the unit cell of a hcp structure. Given that c/ao is 1.63, calculate the APF assuming that all of the atoms have the same radius. Solution: o 3 The volume of the unit cell = ao x ao/sin(60 ) x 1.63 x ao = 1.41 ao . Since ao = 2r for a close-packed structure, the volume = 1.41 x (2r)3 = 11.3 r3. Since there are 2 atoms per unit cell, the APF = 2 x 4π/3 x r3/(11.3 r3) = 0.74. Example 1.27: Calculate the planar density of atoms in the (1 1 1) plane of germanium. Solution: Since the lattice constant of germanium is 0.563 nm, the length of the face diagonal is √2 x 0.563 nm = 0.796 nm. The area of the triangle in the (1 1 1 ) plane within the unit cell is 0.796/2 x √3 x 0.796/2 = 0.274 nm2. Since there are 2 atoms in this area, the planar density is 2/(0.274 x 10-18) /m2 = 7.29 x 1018 /m2. 5 Example 1.32: Assume that Kd = 3 and ∆Ed = 2.4 eV, compute the ratio Nd/Nsite at a) T = 300K, and b) T = 1000K. Solution: a) Based on Eq.(4) in the notes, Nd/Nsite = Kd exp(- ∆Ed/(kT)) = 3 x exp(- 2.4 x 1.6 x 10-19 J/(1.38 x 10-23 J/K x 300K) = 1.4 x 10-40. -19 -23 b) Similarly, at 1000K, Nd/Nsite = 3 x exp(- 2.4 x 1.6 x 10 J/(1.38 x 10 J/K x 1000K) = 2.4 x 10-12. Example 1.34: In an IC fabrication process, a 100 nm thickness boron- doped surface layer has to be formed on silicon. The required boron density within the surface layer must be no less than 1 x 1024 /m3. If the boron density at the upper silicon surface is kept constant at 1 x 1025 /m3, how long does it take for the surface layer to be formed if a) T = 750oC, and b) 1100oC. Fig.E1.16 provides a plot of the diffusivity of boron as a function of temperature. Assume the original boron density in silicon is negligible. Solution: o -21 2 o From Fig.E1.16, the diffusivity Di (750 C) = 1 x 10 m /s and Di (1100 C) = 1 -17 2 x 10 m /s. From Eq.(7): co = 0, ci(x)/cis = 1 - erf(x/(2√(Dit))). o - a) ci(x)/cis = 0.1 at x =100 nm and T = 750 C. This gives 0.1 = 1 - erf(1 x 10 7/(2 x √(1 x 10-21 x t))), or t = 1.86 x 106 s (516 hrs). b) Similarly, at 1100oC, 0.1 = 1 - erf(1 x 10-7/(2 x √(1 x 10-17 x t))), or t = 186 s (0.052 hrs). 6 Example 1.36: In a diffraction experiment involving a polycrystalline sample (see Fig.E1.17), the (1 1 1) diffraction ring measured on a photographic plate is 0.01 m from the center.