320 likes | 457 Views
This lecture delves into the fundamental concepts of crystal structures, including primitive cells, direct space arrangements, and reciprocal space with a focus on Brillouin zones. Professor Virginia Ayres from Michigan State University explores various crystal lattices such as diamond and rock salt, highlighting their unique properties and inter-relationships. The discussion leans on advanced modeling techniques relevant to strained CMOS technology. Key examples illustrate the construction of unit cells, mathematics of Miller indices, and the implications for electronic device engineering.
E N D
ECE 875:Electronic Devices Prof. Virginia Ayres Electrical & Computer Engineering Michigan State University ayresv@msu.edu
Lecture 03, 13 Jan 14 • Chp. 01 • Crystals: • Direct space: primitive cells • Reciprocal space: Brillouin zones VM Ayres, ECE875, S14
Ref. Dissertation Enzo Ungersbock, “Advanced modeling of strained CMOS technology” Only shows one of the four inside atoms c = = a = b Diamond can be considered as two inter-penetrating fcc lattices. Same basis vectors as fcc: a = a/2 x + 0 y + a/2 z b = a/2 x + a/2 y + 0 z c = 0 x + a/2 y + a/2 z Same primitive cell volume: a3/4 Make it diamond by putting a two-atom basis at each vertex of the fcc primitive cell. Pair a 2nd atom at (¼ , ¼ , ¼) x a with every fcc atom in the primitive cell VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://sunlight.caltech.edu/chem140a/Ch1aCrystals1.pdf VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://sunlight.caltech.edu/chem140a/Ch1aCrystals1.pdf VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://sunlight.caltech.edu/chem140a/Ch1aCrystals1.pdf VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://sunlight.caltech.edu/chem140a/Ch1aCrystals1.pdf VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://sunlight.caltech.edu/chem140a/Ch1aCrystals1.pdf The two interpenetrating fcc lattices are displaced (½, ½ , ½) x aNote: also have pairs of atomsdisplaced (½, ½, ½) x a VM Ayres, ECE875, S14
Rock salt can be also considered as two inter-penetrating fcc lattices. Ref: http://www.theochem.unito.it/crystal_tuto/mssc2008_cd/tutorials/surfaces/surfaces_tut.html MgO crystallizes in the Rock salt structure VM Ayres, ECE875, S14
MgO crystallizes in the Rock salt structure Rock salt can be also considered as two inter-penetrating fcc lattices. Same basis vectors as fcc: a = a/2 x + 0 y + a/2 z b = a/2 x + a/2 y + 0 z c = 0 x + a/2 y + a/2 z Same primitive cell volume: a3/4 Make it Rock salt by putting a two-atom basis at each vertex of the fcc primitive cell. Pair a 2nd atom at (½ , ½, ½) x a with every fcc atom in the primitive cell VM Ayres, ECE875, S14
6 conventional cubic Unit cells 4/6 have same fcc primitive cell and basis vectors fcc: single atom basis Diamond/zb: two atom basis, fcc atoms paired with atoms at (¼, ¼ , ¼ ) x a Rock salt: two atom basis, fcc atoms paired with atoms at (½, ½ , ½) x a Wurtzite = two interpenetrating hcp lattices Same tetrahedral bonding as diamond/zincblende VM Ayres, ECE875, S14
The bcc and fcc lattices are reciprocals of each other – Pr. 06. VM Ayres, ECE875, S14
Easier modelling Also: crystal similarities can enable heterostructures and biphasic homostructures Wurtzite = two interpenetrating hcp lattices Same tetrahedral bonding as diamond/zincblende VM Ayres, ECE875, S14
Gallium Nitride Plan view Refs: Jacobs, Ayres, et al, NanoLett, 07: 05 (2007) Jacobs, Ayres, et al, Nanotech. 19: 405706 (2008) VM Ayres, ECE875, S14
Gallium Nitride Cross section view Refs: Jacobs, Ayres, et al, NanoLett, 07: 05 (2007) Jacobs, Ayres, et al, Nanotech. 19: 405706 (2008) VM Ayres, ECE875, S14
Reciprocal space (Reciprocallattice): VM Ayres, ECE875, S14
C-C ^ HW01: Find Miller indices in a possibly non-standard direction Miller indices: describe a general direction k. Miller indices describe a plane (hkl). The normal to that plane describes the direction. In an orthogonal system: direction = hx + ky + lz In a non-orthogonal system: direction = ha* + kb* + lc* VM Ayres, ECE875, S14
Example: Streetman and Banerjee: Pr. 1.3: Label the planes illustrated in fig. P1-3: VM Ayres, ECE875, S14
Answer: Cubic system: Orthogonal: standard plane and direction in Reciprocal space: VM Ayres, ECE875, S14
Answer: Cubic system: Orthogonal: non-standard plane and direction in Reciprocal space: VM Ayres, ECE875, S14
C-C ^ HW01: Si: cubic: orthogonal Find Miller indices in a possibly non-standard direction Hint: check intercept values versus the value of the lattice constant a for Si (Sze Appendix G) VM Ayres, ECE875, S14
HW01: Find Miller indices in a possibly non-standard direction Miller indices: describe a general direction k. Miller indices describe a plane (hkl). The normal to that plane describes the direction. In an orthogonal system: direction = hx + ky + lz In a non-orthogonal system: direction = ha* + kb* + lc* VM Ayres, ECE875, S14
Non-orthogonal, non-standard directions in Reciprocal space: P. 10: for a given set of direct [primitive cell] basis vectors, a set of reciprocal [k-space] lattice vectors a*, b*, c* are defined: P. 11: the general reciprocal lattice vector is defined: G =ha* + kb* + lc* VM Ayres, ECE875, S14
For 1.5(a): VM Ayres, ECE875, S14
Direct space (lattice) Direct space (lattice) Reciprocal space (lattice) Conventional cubic Unit cell Primitive cell for: fcc, diamond, zinc-blende, and rock salt Reciprocal space = first Brillouin zone for: fcc, diamond, zinc-blende, and rock salt VM Ayres, ECE875, S14
For 1.5(b): Find the volume of k-space corresponding to the reciprocal space vectors a*, b* and c* VM Ayres, ECE875, S14
Note: pick up factors of: (2p)3 1 a. b x c 1 primitive cell volume = Sze Vc = Vcrystal = VM Ayres, ECE875, S14
HW01: VM Ayres, ECE875, S14
Given: direct space basis vectors a, b, and c for bcc. Find reciprocal space basis vectors a*, b*, and c* for bcc Compare the result to direct space a, b, and c for fcc VM Ayres, ECE875, S14