Eötvös Quantum Utilities  v4.9.146
Providing the Horsepowers in the Quantum Realm
param_Lead_DFT.m
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1 %% Eotvos Quantum Transport Utilities - param_Lead_DFT
2 % Copyright (C) 2018 Peter Rakyta, Ph.D.
3 %
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15 % along with this program. If not, see http://www.gnu.org/licenses/.
16 %
17 %> @addtogroup structures Structures
18 %> @{
19 %> @file param_Lead_DFT.m
20 %> @brief Base class to construct a structure containing physical parameters of a specific lead for DFT calculations.
21 %> @}
22 %> @brief Base class to construct a structure containing physical parameters of a specific lead for DFT calculations.
23 %> @Available
24 %> EQuUs v4.9.145 or later
25 %%
27 
28  properties
29  %> The superconducting pair potential
30  pair_potential
31  %> An instance of structure @shape describing the geometry of the scattering region.
32  FileName
33  %> Cell array of structure @Atom.
34  Atom
35  %> A physical parameter, see the individual lattice documentations for details
36  vargamma_sc
37  %> Orientation of the lead. Set to +1 (default) if the propagating direction of the states heading to the central device is defined in the +x or +y direction, and "-1" otherwise.
38  Lead_Orientation
39  %> The number of regular sites in the cross section of one unit cell in the lead.
40  M
41  %> Coordinates of the atoms
42  coordinates
43  %> Whether to use a separate calculation for the Lead (Useful to decrease the size of the system)
44  Use_External_Lead
45  %> In case of external Leads the Fermi energy might differ
46  E_Fermi
47  end
48 
49 
50 
51 methods (Access=public)
52 
53 %% Contructor of the class
54 %> @brief Constructor of the class.
55 %> @return An instance of the class
56  function obj = param_Lead_DFT()
57 
58  % initializing class members
59  obj.pair_potential = [];
60  obj.FileName = [];
61  obj.Atom = [];
62  obj.vargamma_sc = [];
63  obj.Lead_Orientation = 1;
64  obj.M = [];
65  obj.Use_External_Lead = 0;
66 
67  end
68 
69 %% CopyParameters
70 %> @brief Copy the attributes of the input structure into the present object.
71 %> @param An instance of class identical to the present class or its superclass.
72 %> @return Returns with the modified class
73  function obj = CopyParameters(obj, param_lead_in )
74 
75  % checking the type of the class
76  class_type_obj = class( obj );
77  class_type_input = class( param_lead_in );
78 
79  if ~strcmpi( class_type_input, class_type_obj )
80  supClasses = superclasses(obj);
81  if sum( strcmp( supClasses, class_type_input ) ) == 0
82  error(['EQuUs:Structures:', class(obj), ':CopyParameters'], 'Invalid type of the input parameter');
83  end
84  end
85 
86  % copy the attribute from the input
87  fieldnames_input = fieldnames( param_lead_in );
88  for idx = 1:length(fieldnames_input)
89  fieldname = fieldnames_input{idx};
90  obj.(fieldname) = param_lead_in.(fieldname);
91  end
92 
93  end
94 
95 
96 end % public methods end
97 
98 end
Structure Atom contains the atomic identifiers of the sites.
Definition: structures.m:148
Base class to construct a structure containing physical parameters of a specific lead for DFT calcula...
Structure shape contains data about the geometry of the scattering region.
Definition: structures.m:106
function Transport(Energy, B)
Calculates the conductance at a given energy value.
Property FileName
An instance of structure shape describing the geometry of the scattering region.
A class to calculate the Green functions and self energies of a translational invariant lead The nota...
Definition: Lead.m:29
Structure param contains data structures describing the physical parameters of the scattering center ...
Definition: structures.m:45
Structure sites contains data to identify the individual sites in a matrix.
Definition: structures.m:187
Structure containing the coordinates and other quantum number identifiers of the sites in the Hamilto...
Definition: Coordinates.m:24
function structures(name)