1 00:00:11,442 --> 00:00:12,900 JURGIS RUZA: In this demonstration, 2 00:00:12,900 --> 00:00:15,644 I'm going to show you how to construct 2D Brillouin zones 3 00:00:15,644 --> 00:00:17,810 and hopefully achieve a better understanding of them 4 00:00:17,810 --> 00:00:19,790 and what they are. 5 00:00:19,790 --> 00:00:22,610 So a Brillouin zone is an important concept 6 00:00:22,610 --> 00:00:24,770 in material science and solid state physics 7 00:00:24,770 --> 00:00:26,900 alike because it is used to describe 8 00:00:26,900 --> 00:00:30,590 the behavior of an electron in a perfect crystal system. 9 00:00:30,590 --> 00:00:32,910 So what is a Brillouin zone? 10 00:00:32,910 --> 00:00:35,860 A Brillouin zone is a particular choice of the unit 11 00:00:35,860 --> 00:00:37,850 cell of the reciprocal lattice. 12 00:00:37,850 --> 00:00:40,250 It is defined as the Wigner-Seitz cell 13 00:00:40,250 --> 00:00:41,870 of the reciprocal lattice. 14 00:00:41,870 --> 00:00:44,540 It is constructed as the set of points 15 00:00:44,540 --> 00:00:47,140 enclosed by the Bragg planes-- 16 00:00:47,140 --> 00:00:49,790 the planes perpendicular to a connection line 17 00:00:49,790 --> 00:00:53,000 from the origin to each lattice point passing 18 00:00:53,000 --> 00:00:54,170 through the midpoint. 19 00:00:54,170 --> 00:00:56,030 Alternatively, it is defined as the set 20 00:00:56,030 --> 00:00:59,690 of points closer to the origin than to any other reciprocal 21 00:00:59,690 --> 00:01:00,650 lattice point. 22 00:01:00,650 --> 00:01:04,489 The whole reciprocal space may be covered without overlap 23 00:01:04,489 --> 00:01:07,971 with copies of such Brillouin zone. 24 00:01:07,971 --> 00:01:08,470 OK. 25 00:01:08,470 --> 00:01:10,900 So that was a rather convoluted definition. 26 00:01:10,900 --> 00:01:11,760 Let's do it again. 27 00:01:11,760 --> 00:01:15,140 Let's brush up and be sure that we understand this definition. 28 00:01:15,140 --> 00:01:18,310 We're going to define the reciprocal space and the Bragg 29 00:01:18,310 --> 00:01:19,270 planes as well. 30 00:01:19,270 --> 00:01:20,830 But to define both of these, we'll 31 00:01:20,830 --> 00:01:24,730 also do a quick revision of what is the erect lattice so 32 00:01:24,730 --> 00:01:29,590 that we can go from there to the reciprocal lattice. 33 00:01:29,590 --> 00:01:31,240 The microscopic perfect crystal is 34 00:01:31,240 --> 00:01:34,660 formed by adding identical building blocks. 35 00:01:34,660 --> 00:01:38,770 So to say unit cells consisting of atoms and groups of atoms. 36 00:01:38,770 --> 00:01:40,540 A unit cell is the smallest component 37 00:01:40,540 --> 00:01:42,220 of a crystal that, once tacked together 38 00:01:42,220 --> 00:01:44,860 with pure translational repetition, 39 00:01:44,860 --> 00:01:47,470 reproduces the whole crystal, which essentially 40 00:01:47,470 --> 00:01:49,960 means that you can take the same thing 41 00:01:49,960 --> 00:01:54,610 over and over and over again and get the whole system done. 42 00:01:54,610 --> 00:01:57,070 So the groups of atoms, these unit cells that 43 00:01:57,070 --> 00:01:59,920 form the microscopic crystal by infinite repetition, 44 00:01:59,920 --> 00:02:02,000 is called the basis. 45 00:02:02,000 --> 00:02:02,500 OK. 46 00:02:02,500 --> 00:02:04,480 That seems quite clear. 47 00:02:04,480 --> 00:02:06,490 And the basis is formed in such a way 48 00:02:06,490 --> 00:02:10,300 that it forms the lattice, more commonly known 49 00:02:10,300 --> 00:02:11,890 as the Bravais lattice. 50 00:02:11,890 --> 00:02:14,890 Every point of a Bravais lattice is 51 00:02:14,890 --> 00:02:16,720 equivalent to every other point, which 52 00:02:16,720 --> 00:02:18,790 means that the arrangement atoms in a crystal 53 00:02:18,790 --> 00:02:21,500 is the same when viewed from different lattice points. 54 00:02:21,500 --> 00:02:22,450 OK. 55 00:02:22,450 --> 00:02:24,680 That also seems quite understandable, 56 00:02:24,680 --> 00:02:27,230 and you should probably know that by now. 57 00:02:27,230 --> 00:02:28,660 So any fundamental lattice must be 58 00:02:28,660 --> 00:02:31,650 definable by three primitive translational vectors-- 59 00:02:31,650 --> 00:02:33,880 a1, a2, and a3. 60 00:02:33,880 --> 00:02:36,520 The combination of these vectors is usually 61 00:02:36,520 --> 00:02:40,030 to find the crystal translational vector r, 62 00:02:40,030 --> 00:02:46,040 such that r is equal to a1 n1 plus a2 n2 plus a3 n3, 63 00:02:46,040 --> 00:02:50,680 where n are just arbitrary integers to show 64 00:02:50,680 --> 00:02:51,715 the size of our lattice. 65 00:02:57,250 --> 00:03:01,230 The crystal lattice is repeated an infinite amount of times 66 00:03:01,230 --> 00:03:03,180 to create the perfect crystal structure, 67 00:03:03,180 --> 00:03:06,270 and each of those lattice are translationally symmetric. 68 00:03:06,270 --> 00:03:08,760 Another way to look at it is that one cannot tell 69 00:03:08,760 --> 00:03:11,790 their position in the crystal structure because every lattice 70 00:03:11,790 --> 00:03:12,660 looks the same. 71 00:03:12,660 --> 00:03:13,890 OK. 72 00:03:13,890 --> 00:03:15,680 So that seems to make sense. 73 00:03:15,680 --> 00:03:17,430 So now, let's go through reciprocal space. 74 00:03:22,860 --> 00:03:25,230 So every lattice has a reciprocal lattice 75 00:03:25,230 --> 00:03:26,200 associated to it. 76 00:03:26,200 --> 00:03:28,430 In crystallography terms, the reciprocal lattice 77 00:03:28,430 --> 00:03:30,770 is the fraction prior of a crystal, 78 00:03:30,770 --> 00:03:33,780 or in quantum mechanics it's describe as k space, 79 00:03:33,780 --> 00:03:36,900 with k being for k wave vectors. 80 00:03:36,900 --> 00:03:40,630 In 3D lattice, the vectors would be b1, b2, and b3. 81 00:03:40,630 --> 00:03:44,100 And they can be denoted as-- we'll look at just b1. 82 00:03:44,100 --> 00:03:47,790 b1 is equal to two parts of the cross-products of the vectors 83 00:03:47,790 --> 00:03:50,940 a2 and a3 from our direct lattice divided 84 00:03:50,940 --> 00:03:54,240 by the triple cross scalar product of a1, a2, 85 00:03:54,240 --> 00:03:58,830 and a3, in which case this cross-product of a2 and a3 86 00:03:58,830 --> 00:04:02,340 is the area of our vector of our two vectors, 87 00:04:02,340 --> 00:04:06,890 and the triple scalar product is the volume of our system. 88 00:04:06,890 --> 00:04:08,940 By simplifying it, we can just get 89 00:04:08,940 --> 00:04:12,500 2 pi over the height of our unit cell, 90 00:04:12,500 --> 00:04:13,670 or we can put it this way. 91 00:04:13,670 --> 00:04:17,660 The larger our direct lattice, the smaller in comparison 92 00:04:17,660 --> 00:04:19,485 our reciprocal lattice becomes. 93 00:04:19,485 --> 00:04:21,110 Another observation that could actually 94 00:04:21,110 --> 00:04:23,030 be made by the reciprocal lattice 95 00:04:23,030 --> 00:04:25,910 is that the reciprocal lattice of the reciprocal lattice 96 00:04:25,910 --> 00:04:27,720 is the direct lattice. 97 00:04:27,720 --> 00:04:30,140 But OK, for simplicity's sake, let's look 98 00:04:30,140 --> 00:04:32,330 at a transformation from 2D lattice 99 00:04:32,330 --> 00:04:34,460 to a reciprocal lattice. 100 00:04:34,460 --> 00:04:36,100 So we have a visualization here where 101 00:04:36,100 --> 00:04:42,150 we can change the length of our x vector in direct space 102 00:04:42,150 --> 00:04:45,097 and the length of our y vector in direct space. 103 00:04:45,097 --> 00:04:46,680 And we can change whether or not we're 104 00:04:46,680 --> 00:04:49,200 seeing this as a direct lattice or whether we're 105 00:04:49,200 --> 00:04:52,690 seeing this pattern as a reciprocal lattice. 106 00:04:52,690 --> 00:04:55,260 So as we can see, by increasing the length 107 00:04:55,260 --> 00:05:00,060 of our direct vector, we change the sizes 108 00:05:00,060 --> 00:05:02,920 of our reciprocal lattice vectors, and the other way 109 00:05:02,920 --> 00:05:03,420 around. 110 00:05:06,260 --> 00:05:08,820 So now we had a definition of the reciprocal space 111 00:05:08,820 --> 00:05:09,820 and direct space. 112 00:05:09,820 --> 00:05:13,934 Let's go back to our definition. 113 00:05:13,934 --> 00:05:15,350 So the first Brillouin zone can be 114 00:05:15,350 --> 00:05:17,600 defined as a set of points in reciprocal space 115 00:05:17,600 --> 00:05:20,180 that can be reached from a specific point of origin 116 00:05:20,180 --> 00:05:21,950 without crossing any Bragg planes. 117 00:05:21,950 --> 00:05:25,170 So what are Bragg planes? 118 00:05:25,170 --> 00:05:27,910 A Bragg plane, or in this case, a Bragg line, 119 00:05:27,910 --> 00:05:30,760 is a Bragg line which perpendicularly bisects 120 00:05:30,760 --> 00:05:33,580 a reciprocal lattice vector-- 121 00:05:33,580 --> 00:05:37,200 a vector which connects two lattice points. 122 00:05:37,200 --> 00:05:39,460 And the closest Bragg planes are essentially 123 00:05:39,460 --> 00:05:40,660 crossing the Brillouin zone. 124 00:05:40,660 --> 00:05:42,430 Now, we can show the Bragg planes 125 00:05:42,430 --> 00:05:45,880 with the closest neighbors, with this being our original lattice 126 00:05:45,880 --> 00:05:46,420 point. 127 00:05:46,420 --> 00:05:50,600 And these are the four closest neighbors in a simple, 128 00:05:50,600 --> 00:05:53,380 I'd say cubic, but it's actually just the square lattice 129 00:05:53,380 --> 00:05:55,070 because it's in 2D. 130 00:05:55,070 --> 00:05:58,730 And if we add the second largest vectors, 131 00:05:58,730 --> 00:06:01,260 for the second closest neighbors you can see these ones. 132 00:06:01,260 --> 00:06:03,720 And essentially, it conveys the same information. 133 00:06:03,720 --> 00:06:08,010 When we go to a higher order of closest neighbors, 134 00:06:08,010 --> 00:06:12,840 we can see that the system gets a lot more complex. 135 00:06:12,840 --> 00:06:14,580 So now we've seen what are Bragg planes, 136 00:06:14,580 --> 00:06:18,040 we can go towards Brillouin zones. 137 00:06:18,040 --> 00:06:20,160 So this is the first Brillouin zone. 138 00:06:20,160 --> 00:06:21,910 It is what it seems it is. 139 00:06:21,910 --> 00:06:24,660 As you can imagine, the Bragg planes just go here. 140 00:06:24,660 --> 00:06:26,340 And the Brillouin zone shows us the area 141 00:06:26,340 --> 00:06:29,100 in reciprocal space that is closer to our lattice point 142 00:06:29,100 --> 00:06:32,550 than any other lattice point, which are essentially the Bragg 143 00:06:32,550 --> 00:06:33,390 planes as well. 144 00:06:33,390 --> 00:06:36,030 As we can see, our reciprocal lattice origin point 145 00:06:36,030 --> 00:06:37,575 is in here. 146 00:06:37,575 --> 00:06:41,370 The square is closer to this point than to any other point. 147 00:06:41,370 --> 00:06:44,070 And after these lines, it gets the other way around. 148 00:06:44,070 --> 00:06:46,560 So we can move on forward to a higher 149 00:06:46,560 --> 00:06:48,090 order of Brillouin zones. 150 00:06:51,822 --> 00:06:54,030 And this is the Brillouin zone for the second closest 151 00:06:54,030 --> 00:06:54,750 neighbor. 152 00:06:54,750 --> 00:06:56,940 As you can see, it is rather similar. 153 00:06:56,940 --> 00:06:59,340 It's just takes the second closest neighbors 154 00:06:59,340 --> 00:07:01,050 and essentially draws another square. 155 00:07:01,050 --> 00:07:05,490 But it's a bit tilted to the edge. 156 00:07:05,490 --> 00:07:08,340 So now let's look at the third one. 157 00:07:08,340 --> 00:07:10,890 For the third Brillouin zone, it gets a bit more complex 158 00:07:10,890 --> 00:07:12,660 because if we scroll a bit backwards, 159 00:07:12,660 --> 00:07:17,010 we can see that the Bragg planes for the third closest neighbors 160 00:07:17,010 --> 00:07:17,940 are these ones. 161 00:07:17,940 --> 00:07:20,370 So we might think that this whole thing would 162 00:07:20,370 --> 00:07:24,160 be the third Brillouin zone, but it's actually not, 163 00:07:24,160 --> 00:07:27,780 because with every next system it gets a bit more complex. 164 00:07:27,780 --> 00:07:33,290 And it's actually taking account both the third Bragg 165 00:07:33,290 --> 00:07:35,971 planes and the first ones. 166 00:07:35,971 --> 00:07:37,220 So now let's do another thing. 167 00:07:37,220 --> 00:07:40,610 Let's turn on that we can see all the Bragg planes 168 00:07:40,610 --> 00:07:44,370 and turn up another notch. 169 00:07:44,370 --> 00:07:46,810 So here we can see that the fourth Brillouin 170 00:07:46,810 --> 00:07:49,027 zone gets a lot more complex. 171 00:07:49,027 --> 00:07:50,610 And we can see all of the Bragg planes 172 00:07:50,610 --> 00:07:54,500 for the closest neighbors. 173 00:07:54,500 --> 00:07:58,230 And these lines get quite difficult to understand 174 00:07:58,230 --> 00:08:00,690 by drawing themselves, but we can help ourselves out 175 00:08:00,690 --> 00:08:03,290 with this visualization. 176 00:08:03,290 --> 00:08:05,210 So yeah, we can see that they start 177 00:08:05,210 --> 00:08:07,350 to interact with each other, and thus make 178 00:08:07,350 --> 00:08:08,510 a more difficult structure. 179 00:08:08,510 --> 00:08:11,580 And if we go to the fifth one and show 180 00:08:11,580 --> 00:08:15,150 that we can see all the Brillouin zones-- 181 00:08:15,150 --> 00:08:19,280 so here we can see that it becomes quite a nice drawing. 182 00:08:19,280 --> 00:08:21,489 If we were to keep adding them-- 183 00:08:21,489 --> 00:08:22,530 I mean, let's just do it. 184 00:08:22,530 --> 00:08:24,890 Let's add until the ninth one. 185 00:08:24,890 --> 00:08:28,346 So here we can see a high order Brillouin zone. 186 00:08:28,346 --> 00:08:30,720 It actually looks kind of nice, which is also interesting 187 00:08:30,720 --> 00:08:36,830 because it's also an art form drawing high order Brillouin 188 00:08:36,830 --> 00:08:37,820 zones. 189 00:08:37,820 --> 00:08:40,440 The higher you go, the more complex and more discrete 190 00:08:40,440 --> 00:08:41,159 the system gets. 191 00:08:41,159 --> 00:08:44,940 And it essentially looks nicer. 192 00:08:44,940 --> 00:08:47,160 So after looking at this, we can get 193 00:08:47,160 --> 00:08:50,910 a short definition of how to construct 2D Brillouin zones. 194 00:08:50,910 --> 00:08:54,870 So n-th Brillouin zone can be defined as the area, or volume 195 00:08:54,870 --> 00:08:57,720 if we look in 3D, in reciprocal space that 196 00:08:57,720 --> 00:09:00,180 can be reached from the origin by crossing 197 00:09:00,180 --> 00:09:04,650 exactly n minus 1 Bragg planes. 198 00:09:04,650 --> 00:09:09,990 So we can look also at a Brillouin zone for a system 199 00:09:09,990 --> 00:09:12,270 where the atoms are not perfectly 200 00:09:12,270 --> 00:09:17,310 in a perfect square lattice but are offset a bit, making, so 201 00:09:17,310 --> 00:09:19,890 to say, a triangular lattice. 202 00:09:19,890 --> 00:09:23,670 And as we can see here, the first Brillouin zone 203 00:09:23,670 --> 00:09:25,840 is a hexagon. 204 00:09:25,840 --> 00:09:28,410 And the second one already gets a bit more difficult 205 00:09:28,410 --> 00:09:29,790 by forming a star shape. 206 00:09:29,790 --> 00:09:33,480 And the third one is, again, so to say, a hexagon. 207 00:09:33,480 --> 00:09:35,490 And it goes on like that. 208 00:09:38,350 --> 00:09:41,030 And then, so what information does the Brillouin zone hold 209 00:09:41,030 --> 00:09:42,105 and what does it give us? 210 00:09:42,105 --> 00:09:45,420 In short, vectors in the Brillouin zone 211 00:09:45,420 --> 00:09:48,430 or on its boundary characterize states in the system 212 00:09:48,430 --> 00:09:51,060 with lattice periodicity. 213 00:09:51,060 --> 00:09:55,400 For example, phonon or electron states. 214 00:09:55,400 --> 00:09:57,520 But for that, a whole other video. 215 00:10:04,830 --> 00:10:07,890 This code for this demonstration was taken and edited 216 00:10:07,890 --> 00:10:12,980 from mathematical demonstrations made by Jaroslaw Klos.