test_Graphene_SOC.m

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%%   Eotvos Quantum Transport Utilities
%    Copyright (C) 2018 Peter Rakyta, Ph.D
%
%    This program is free software: you can redistribute it and/or modify
%    it under the terms of the GNU General Public License as published by
%    the Free Software Foundation, either version 3 of the License, or
%    (at your option) any later version.
%
%    This program is distributed in the hope that it will be useful,
%    but WITHOUT ANY WARRANTY; without even the implied warranty of
%    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
%    GNU General Public License for more details.
%
%    You should have received a copy of the GNU General Public License
%    along with this program.  If not, see http://www.gnu.org/licenses/.
%
%> @addtogroup unit_tests Unit Tests
%> @{
%> @file test_TMDC_Monolayer.m
%> @brief Testfile to check the lattice construction of monolayer TMDC by classes TMDC_Monolayer_Lead_Hamiltonians and TMDC_Monolayer_SOC_Lead_Hamiltonians.
%> @Available
%> EQuUs v4.9.136 or later
%> @}
%> @brief Testfile to check the lattice construction of monolayer TMDC by classes TMDC_Monolayer_Lead_Hamiltonians and TMDC_Monolayer_SOC_Lead_Hamiltonians.
function test_Graphene_SOC()


filename = mfilename('fullpath');
[directory, fncname] = fileparts( filename );  

%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with zigzag edges
    disp( '***** test of Rashba-type SOC for zigzag edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');

    % setting the width of the lead 1
    param.Leads{1}.M = 2;
    
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.01;
    
    % The theoretical distance of the pockets from the central Dirac point
    kSO = 2*param.Leads{1}.Rashba^2/param.Leads{1}.vargamma^2;
    
    % A vector pointing into the K point
    Kpoint = [0; 2*pi/3/sqrt(3)];
    
    k_pocket_1 = [0; kSO] + Kpoint;
    k_pocket_2 = [sin(pi/3); -cos(pi/3)]*kSO + Kpoint;
    k_pocket_3 = [-sin(pi/3); -cos(pi/3)]*kSO + Kpoint;
    
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = kSO*sin(pi/3)*3;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_1'*a1, k_pocket_1'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_2'*a1, k_pocket_2'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_3'*a1, k_pocket_3'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    % Calculate the spectrum for q through the first pocket
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', k_pocket_1'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_1'*a1 - 1.5*kSO*sqrt(3), 'ka_max', k_pocket_1'*a1 + 0.5*kSO*sqrt(3), 'db', 2, 'ToPlot', 1);
    
    
    % Calculate the spectrum for q through the second pocket
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', k_pocket_2'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_2'*a1 - 0.5*kSO*sqrt(3), 'ka_max', k_pocket_2'*a1 + 1.5*kSO*sqrt(3), 'db', 2, 'ToPlot', 1);
    
    % Calculate the spectrum for q through the third pocket
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', k_pocket_3'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_3'*a1 - 0.5*kSO*sqrt(3), 'ka_max', k_pocket_3'*a1 + 1.5*kSO*sqrt(3), 'db', 2, 'ToPlot', 1);


%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with armchair edges
    disp( '***** test of Rashba-type SOC for armchair edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');
    
    % changing the edge of the first lead to armchair type.
    param.Leads{1}.End_Type = 'Z';

    % setting the width of the lead 1
    param.Leads{1}.M = 1;
    
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.01;
    
    % The theoretical distance of the pockets from the central Dirac point
    kSO = 2*param.Leads{1}.Rashba^2/param.Leads{1}.vargamma^2;
    
    % A vector pointing into the K point
    Kpoint = [2*pi/3/sqrt(3); 0];
    
    k_pocket_1 = [kSO; 0] + Kpoint;
    k_pocket_2 = [-cos(pi/3); -sin(pi/3)]*kSO + Kpoint;
    k_pocket_3 = [-cos(pi/3); sin(pi/3)]*kSO + Kpoint;
    
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = kSO*sin(pi/3)*3;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_1'*a1, k_pocket_1'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_2'*a1, k_pocket_2'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( k_pocket_3'*a1, k_pocket_3'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals));
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
   
    
    
    % Calculate the spectrum for q through the K point
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', Kpoint'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_1'*a1 - 1e-6, 'ka_max', k_pocket_1'*a1 + 1e-6, 'db', 2, 'ToPlot', 1);
    
    % Calculate the spectrum for q through the first pocket
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', k_pocket_1'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_1'*a1 - 1.5*kSO*sqrt(3), 'ka_max', k_pocket_1'*a1 + 1.5*kSO*sqrt(3), 'db', 2, 'ToPlot', 1);    
   
    
    % Calculate the spectrum for q through the second and the third pocket
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', k_pocket_2'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', k_pocket_2'*a1 - 4.5*kSO*sqrt(3), 'ka_max', k_pocket_2'*a1 + 4.5*kSO*sqrt(3), 'db', 2, 'ToPlot', 1);



%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with zigzag edges
    disp( '***** test of intrinsic SOC in the class Graphene_SOC_Lead_Hamiltonians for zigzag edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');
    
    % changing the edge of the first lead to armchair type.
    param.Leads{1}.End_Type = 'A';

    % setting the width of the lead 1
    param.Leads{1}.M = 2;
    
    % setting the Rashba-type SOC
    param.Leads{1}.Intrinsic = 0.01;
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.0;
        
    % A vector pointing into the K point
    Kpoint = [0; 2*pi/3/sqrt(3)];
        
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = 0;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( Kpoint'*a1, Kpoint'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals) - 3*sqrt(3)*param.Leads{1}.Intrinsic);
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
        
    % Calculate the spectrum for q through the K point
%     param.Leads{1}.M = 2;
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', 0);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', 1.8, 'ka_max', 2.6, 'db', 20, 'ToPlot', 1);
    
    
    
    
%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with zigzag edges
    disp( '***** test of valley Zeeman SOC in the class Graphene_SOC_Lead_Hamiltonians for zigzag edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');
    
    % changing the edge of the first lead to armchair type.
    param.Leads{1}.End_Type = 'A';

    % setting the width of the lead 1
    param.Leads{1}.M = 2;
    
    % setting the Rashba-type SOC
    param.Leads{1}.ValleyZeeman = 0.01;
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.0;
        
    % A vector pointing into the K point
    Kpoint = [0; 2*pi/3/sqrt(3)];
    
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = 0;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( Kpoint'*a1, Kpoint'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals) - 3*sqrt(3)*param.Leads{1}.ValleyZeeman);
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
        
    % Calculate the spectrum for q through the K point
%     param.Leads{1}.M = 2;
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', 0);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', 1.8, 'ka_max', 2.6, 'db', 20, 'ToPlot', 1);
    
%HLead_1.CalcSpektrum('db', 20, 'ToPlot', 1);
    


%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with armchair edges
    disp( '***** test of intrinsic SOC in the class Graphene_SOC_Lead_Hamiltonians for armchair edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');
    
    % changing the edge of the first lead to armchair type.
    param.Leads{1}.End_Type = 'Z';

    % setting the width of the lead 1
    param.Leads{1}.M = 1;
    
    % setting the Rashba-type SOC
    param.Leads{1}.Intrinsic = 0.01;
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.0;
    
    % A vector pointing into the K point
    Kpoint = [2*pi/3/sqrt(3); 0];
        
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = 0;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( Kpoint'*a1, Kpoint'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals) - 3*sqrt(3)*param.Leads{1}.Intrinsic);
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
        
    % Calculate the spectrum for q through the K point
%     param.Leads{1}.M = 1;
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', Kpoint'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', -0.3, 'ka_max', 0.3, 'db', 4, 'ToPlot', 1);
    
    
    
%% test of the class Graphene_SOC_Lead_Hamiltonians to create Hamiltonians of ribbon with armchair edges
    disp( '***** test of valley Zeeman SOC in the class Graphene_SOC_Lead_Hamiltonians for armchair edged ribbon *****' );

    % create input structures
    [Opt, param] = parseInput( 'Basic_Input_Graphene_SOC_Lattice.xml');
    
    % changing the edge of the first lead to armchair type.
    param.Leads{1}.End_Type = 'Z';

    % setting the width of the lead 1
    param.Leads{1}.M = 1;
    
    % setting the Rashba-type SOC
    param.Leads{1}.ValleyZeeman = 0.01;
    % setting the Rashba-type SOC
    param.Leads{1}.Rashba = 0.0;
    
    
    % A vector pointing into the K point
    Kpoint = [2*pi/3/sqrt(3); 0];
    
    % create an instance of class CreateLeadHamiltonians to create Hamiltonians
    q = 0;
    HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', q);
    HLead_1.CreateHamiltonians();
    
    % getting lattice vectors of the triangle lattice
    cCoordinates = HLead_1.Read('coordinates');
    a1 = cCoordinates.a*cCoordinates.LatticeConstant;
    a2 = cCoordinates.b*cCoordinates.LatticeConstant;
    
    % The spectrum should be zero at the pocket points
    H_EQuUs = HLead_1.MomentumDependentHamiltonian( Kpoint'*a1, Kpoint'*a2);
    eigvals = eig(full(H_EQuUs));

    checkpoint = min(abs(eigvals) - 3*sqrt(3)*param.Leads{1}.ValleyZeeman);
    if checkpoint > 1e-10
        warning(['EQuUs:Tests:', fncname, ':checkpoint failed with error ', num2str( checkpoint)]);
    end
    
    
        
    % Calculate the spectrum for q through the K point
%     param.Leads{1}.M = 1;
%     HLead_1 = CreateLeadHamiltonians(Opt, param, 'Hanyadik_Lead',1, 'q', Kpoint'*a2);
%     HLead_1.CreateHamiltonians();
%     HLead_1.CalcSpektrum('ka_min', -0.3, 'ka_max', 0.3, 'db', 4, 'ToPlot', 1);
    

    
    
    
 end