Eötvös Quantum Utilities  v4.9.146
Providing the Horsepowers in the Quantum Realm
Lattice_TMDC_Monolayer.m
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1 %% Eotvos Quantum Transport Utilities - Lattice_TMDC_Monolayer
2 % Copyright (C) 2018 Peter Rakyta, Ph.D.
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16 %
17 %> @addtogroup structures Structures
18 %> @{
19 %> @file Lattice_TMDC_Monolayer.m
20 %> @brief Class containing physical parameters of the lattice of monolayer transitional dichalcogenides according to <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
21 %> @}
22 %> @brief Class containing physical parameters of the lattice of monolayer transitional dichalcogenides according to <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
23 %> @Available
24 %> EQuUs v5.0 or later
25 %%
26 classdef Lattice_TMDC_Monolayer
27 
28  properties
29  %> Lattice constant of the unit cell in units of \f$ \AA \f$ according to table I in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
30  a
31  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
32  epsilon1
33  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
34  epsilon2
35  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
36  epsilon3
37  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
38  epsilon4
39  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
40  epsilon5
41  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
42  epsilon6
43  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
44  epsilon7
45  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
46  epsilon8
47  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
48  epsilon9
49  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
50  epsilon10
51  %> On-site energy according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
52  epsilon11
53 
54  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
55  t_1__1_1
56  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
57  t_1__2_2
58  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
59  t_1__3_3
60  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
61  t_1__4_4
62  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
63  t_1__5_5
64  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
65  t_1__6_6
66  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
67  t_1__7_7
68  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
69  t_1__8_8
70  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
71  t_1__9_9
72  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
73  t_1__10_10
74  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
75  t_1__11_11
76  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
77  t_1__3_5
78  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
79  t_1__6_8
80  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
81  t_1__9_11
82  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
83  t_1__1_2
84  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
85  t_1__3_4
86  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
87  t_1__4_5
88  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
89  t_1__6_7
90  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
91  t_1__7_8
92  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
93  t_1__9_10
94  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
95  t_1__10_11
96 
97  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
98  t_5__4_1
99  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
100  t_5__3_2
101  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
102  t_5__5_2
103  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
104  t_5__9_6
105  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
106  t_5__11_6
107  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
108  t_5__10_7
109  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
110  t_5__9_8
111  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
112  t_5__11_8
113 
114  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
115  t_6__9_6
116  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
117  t_6__11_6
118  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
119  t_6__9_8
120  %> Hopping amplitude according to table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
121  t_6__11_8
122  end
123 
124 
125 
126 methods (Access=public)
127 
128 %% Contructor of the class
129 %> @brief Constructor of the class.
130 %> @return An instance of the class
131  function obj = Lattice_TMDC_Monolayer()
132 
133  % initializing class members
134  % according to MoS2 parameetrs in the table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
135  obj.a = 3.18;
136  % according to MoS2 parameetrs in the table III in <a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.92.205108">PRB 92, 205108 (2015)</a>.
137  obj.epsilon1 = 1.0688;
138  obj.epsilon2 = obj.epsilon1;
139  obj.epsilon3 = -0.7755;
140  obj.epsilon4 = -1.2902;
141  obj.epsilon5 = obj.epsilon4;
142  obj.epsilon6 = -0.1380;
143  obj.epsilon7 = 0.0874;
144  obj.epsilon8 = obj.epsilon7;
145  obj.epsilon9 = -2.8949;
146  obj.epsilon10 = -1.9065;
147  obj.epsilon11 = obj.epsilon10;
148 
149  obj.t_1__1_1 = -0.2069;
150  obj.t_1__2_2 = 0.0323;
151  obj.t_1__3_3 = -0.1739;
152  obj.t_1__4_4 = 0.8651;
153  obj.t_1__5_5 = -0.1872;
154  obj.t_1__6_6 = -0.2979;
155  obj.t_1__7_7 = 0.2747;
156  obj.t_1__8_8 = -0.5581;
157  obj.t_1__9_9 = -0.1916;
158  obj.t_1__10_10 = 0.9122;
159  obj.t_1__11_11 = 0.0059;
160  obj.t_1__3_5 = -0.0679;
161  obj.t_1__6_8 = 0.4096;
162  obj.t_1__9_11 = 0.0075;
163  obj.t_1__1_2 = -0.2562;
164  obj.t_1__3_4 = -0.0995;
165  obj.t_1__4_5 = -0.0705;
166  obj.t_1__6_7 = -0.1145;
167  obj.t_1__7_8 = -0.2487;
168  obj.t_1__9_10 = 0.1063;
169  obj.t_1__10_11 = -0.0385;
170 
171  obj.t_5__4_1 = -0.7883;
172  obj.t_5__3_2 = -1.3790;
173  obj.t_5__5_2 = 2.1584;
174  obj.t_5__9_6 = -0.8836;
175  obj.t_5__11_6 = -0.9402;
176  obj.t_5__10_7 = 1.4114;
177  obj.t_5__9_8 = -0.9535;
178  obj.t_5__11_8 = 0.6517;
179 
180  obj.t_6__9_6 = -0.0686;
181  obj.t_6__11_6 = -0.1498;
182  obj.t_6__9_8 = -0.2205;
183  obj.t_6__11_8 = -0.2451;
184 
185  end
186 
187 
188 %% Calc_t_2__i_i
189 %> @brief Calculates the hopping amplitudes t_2__i_i according to EQ (A1) in <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.205108">PRB 92 205108</a>.
190 %> @return Return a structure containing the calculates physical parameters.
191  function ret = Calc_t_2__i_i( obj )
192 
193  % creating the structure
194  ret = struct();
195 
196  % first index set
197  varalpha = 1;
198  varbeta = 2;
199  ret.(['t_2__', num2str(varalpha), '_', num2str(varalpha)]) = 1/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 3/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
200  ret.(['t_2__', num2str(varbeta), '_', num2str(varbeta)]) = 3/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 1/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
201 
202  % second index set
203  varalpha = 4;
204  varbeta = 5;
205  vargamma = 3;
206  ret.(['t_2__', num2str(varalpha), '_', num2str(varalpha)]) = 1/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 3/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
207  ret.(['t_2__', num2str(varbeta), '_', num2str(varbeta)]) = 3/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 1/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
208  ret.(['t_2__', num2str(vargamma), '_', num2str(vargamma)]) = obj.(['t_1__', num2str(vargamma), '_', num2str(vargamma)]);
209 
210  % third index set
211  varalpha = 7;
212  varbeta = 8;
213  vargamma = 6;
214  ret.(['t_2__', num2str(varalpha), '_', num2str(varalpha)]) = 1/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 3/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
215  ret.(['t_2__', num2str(varbeta), '_', num2str(varbeta)]) = 3/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 1/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
216  ret.(['t_2__', num2str(vargamma), '_', num2str(vargamma)]) = obj.(['t_1__', num2str(vargamma), '_', num2str(vargamma)]);
217 
218  % fourth index set
219  varalpha = 10;
220  varbeta = 11;
221  vargamma = 9;
222  ret.(['t_2__', num2str(varalpha), '_', num2str(varalpha)]) = 1/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 3/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
223  ret.(['t_2__', num2str(varbeta), '_', num2str(varbeta)]) = 3/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + 1/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]);
224  ret.(['t_2__', num2str(vargamma), '_', num2str(vargamma)]) = obj.(['t_1__', num2str(vargamma), '_', num2str(vargamma)]);
225 
226 
227 
228 
229 
230  end
231 
232 
233 %% Calc_t_2__i_j
234 %> @brief Calculates the hopping amplitudes t_2__i_j according to EQ (A1) in <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.205108">PRB 92 205108</a>.
235 %> @return Return a structure containing the calculates physical parameters.
236  function ret = Calc_t_2__i_j( obj )
237 
238  % creating the structure
239  ret = struct();
240 
241  % first index set
242  varalpha = 1;
243  varbeta = 2;
244  ret.(['t_2__', num2str(varalpha), '_', num2str(varbeta)]) = ...
245  sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) - ...
246  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
247  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
248 
249  % second index set
250  varalpha = 4;
251  varbeta = 5;
252  vargamma = 3;
253  ret.(['t_2__', num2str(varalpha), '_', num2str(varbeta)]) = ...
254  sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) - ...
255  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
256  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
257 
258  ret.(['t_2__', num2str(vargamma), '_', num2str(varbeta)]) = ...
259  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
260  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
261 
262  ret.(['t_2__', num2str(vargamma), '_', num2str(varalpha)]) = ...
263  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) + ...
264  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
265 
266 
267  % third index set
268  varalpha = 7;
269  varbeta = 8;
270  vargamma = 6;
271  ret.(['t_2__', num2str(varalpha), '_', num2str(varbeta)]) = ...
272  sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) - ...
273  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
274  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
275 
276  ret.(['t_2__', num2str(vargamma), '_', num2str(varbeta)]) = ...
277  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
278  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
279 
280  ret.(['t_2__', num2str(vargamma), '_', num2str(varalpha)]) = ...
281  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) + ...
282  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
283 
284  % fourth index set
285  varalpha = 10;
286  varbeta = 11;
287  vargamma = 9;
288  ret.(['t_2__', num2str(varalpha), '_', num2str(varbeta)]) = ...
289  sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) - ...
290  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
291  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
292 
293  ret.(['t_2__', num2str(vargamma), '_', num2str(varbeta)]) = ...
294  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
295  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
296 
297  ret.(['t_2__', num2str(vargamma), '_', num2str(varalpha)]) = ...
298  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) + ...
299  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
300 
301 
302 
303 
304 
305  end
306 
307 
308 
309 
310 %% Calc_t_3__i_j
311 %> @brief Calculates the hopping amplitudes t_3__i_j according to EQ (A1) in <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.205108">PRB 92 205108</a>.
312 %> @return Return a structure containing the calculates physical parameters.
313  function ret = Calc_t_3__i_j( obj )
314 
315  % creating the structure
316  ret = struct();
317 
318  % first index set
319  varalpha = 1;
320  varbeta = 2;
321  ret.(['t_3__', num2str(varalpha), '_', num2str(varbeta)]) = ...
322  -sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + ...
323  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
324  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
325 
326  % second index set
327  varalpha = 4;
328  varbeta = 5;
329  vargamma = 3;
330  ret.(['t_3__', num2str(varalpha), '_', num2str(varbeta)]) = ...
331  -sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + ...
332  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
333  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
334 
335  ret.(['t_3__', num2str(vargamma), '_', num2str(varbeta)]) = ...
336  -sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
337  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
338 
339  ret.(['t_3__', num2str(vargamma), '_', num2str(varalpha)]) = ...
340  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
341  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
342 
343 
344  % third index set
345  varalpha = 7;
346  varbeta = 8;
347  vargamma = 6;
348  ret.(['t_3__', num2str(varalpha), '_', num2str(varbeta)]) = ...
349  -sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + ...
350  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
351  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
352 
353  ret.(['t_3__', num2str(vargamma), '_', num2str(varbeta)]) = ...
354  -sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
355  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
356 
357  ret.(['t_3__', num2str(vargamma), '_', num2str(varalpha)]) = ...
358  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
359  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
360 
361  % fourth index set
362  varalpha = 10;
363  varbeta = 11;
364  vargamma = 9;
365  ret.(['t_3__', num2str(varalpha), '_', num2str(varbeta)]) = ...
366  -sqrt(3)/4*obj.(['t_1__', num2str(varalpha), '_', num2str(varalpha)]) + ...
367  sqrt(3)/4*obj.(['t_1__', num2str(varbeta), '_', num2str(varbeta)]) - ...
368  obj.(['t_1__', num2str(varalpha), '_', num2str(varbeta)]);
369 
370  ret.(['t_3__', num2str(vargamma), '_', num2str(varbeta)]) = ...
371  -sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
372  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
373 
374  ret.(['t_3__', num2str(vargamma), '_', num2str(varalpha)]) = ...
375  1/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varalpha)]) - ...
376  sqrt(3)/2*obj.(['t_1__', num2str(vargamma), '_', num2str(varbeta)]);
377 
378 
379 
380 
381 
382  end
383 
384 
385 %% Calc_t_4__i_j
386 %> @brief Calculates the hopping amplitudes t_4__i_j according to EQ (A2) in <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.205108">PRB 92 205108</a>.
387 %> @return Return a structure containing the calculates physical parameters.
388  function ret = Calc_t_4__i_j( obj )
389 
390  % creating the structure
391  ret = struct();
392 
393  % first index set
394  varalpha = 1;
395  varbeta = 2;
396  varalpha_prime = 4;
397  varbeta_prime = 5;
398  vargamma_prime = 3;
399 
400  ret.(['t_4__', num2str(varalpha_prime), '_', num2str(varalpha)]) = ...
401  1/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
402  3/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
403 
404  ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varbeta)]) = ...
405  3/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
406  1/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
407 
408  ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varalpha)]) = ...
409  -sqrt(3)/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
410  sqrt(3)/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
411 
412  ret.(['t_4__', num2str(varalpha_prime), '_', num2str(varbeta)]) = ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varalpha)]);
413 
414  ret.(['t_4__', num2str(vargamma_prime), '_', num2str(varalpha)]) = -sqrt(3)/2*obj.(['t_5__', num2str(vargamma_prime), '_', num2str(varbeta)]);
415 
416  ret.(['t_4__', num2str(vargamma_prime), '_', num2str(varbeta)]) = -1/2*obj.(['t_5__', num2str(vargamma_prime), '_', num2str(varbeta)]);
417 
418  % second index set
419  varalpha = 7;
420  varbeta = 8;
421  varalpha_prime = 10;
422  varbeta_prime = 11;
423  vargamma_prime = 9;
424 
425  ret.(['t_4__', num2str(varalpha_prime), '_', num2str(varalpha)]) = ...
426  1/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
427  3/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
428 
429  ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varbeta)]) = ...
430  3/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
431  1/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
432 
433  ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varalpha)]) = ...
434  -sqrt(3)/4*obj.(['t_5__', num2str(varalpha_prime), '_', num2str(varalpha)]) + ...
435  sqrt(3)/4*obj.(['t_5__', num2str(varbeta_prime), '_', num2str(varbeta)]);
436 
437  ret.(['t_4__', num2str(varalpha_prime), '_', num2str(varbeta)]) = ret.(['t_4__', num2str(varbeta_prime), '_', num2str(varalpha)]);
438 
439  ret.(['t_4__', num2str(vargamma_prime), '_', num2str(varalpha)]) = -sqrt(3)/2*obj.(['t_5__', num2str(vargamma_prime), '_', num2str(varbeta)]);
440 
441  ret.(['t_4__', num2str(vargamma_prime), '_', num2str(varbeta)]) = -1/2*obj.(['t_5__', num2str(vargamma_prime), '_', num2str(varbeta)]);
442 
443 
444 
445 
446  ret.('t_4__9_6') = obj.('t_5__9_6');
447  ret.('t_4__10_6') = -sqrt(3)/2*obj.('t_5__11_6');
448  ret.('t_4__11_6') = -1/2*obj.('t_5__11_6');
449 
450 
451 
452 
453  end
454 
455 
456 
457 end % public methods end
458 
459 end
Lattice_TMDC_Monolayer
Class containing physical parameters of the lattice of monolayer transitional dichalcogenides accordi...
Definition: Lattice_TMDC_Monolayer.m:26
Lattice_TMDC_Monolayer::a
Property a
Lattice constant of the unit cell in units of according to table I in PRB 92, 205108 (2015).
Definition: Lattice_TMDC_Monolayer.m:32
Transport
function Transport(Energy, B)
Calculates the conductance at a given energy value.
structures
function structures(name)
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