A class describing the interface region between the scattering region and a lead. More...

Inheritance diagram for InterfaceRegion:

[legend]

Public Member Functions
function	AddPotential (V)
	Adds on-site potential to the Hamiltonian H0. More...

function	ApplyOverlapMatrices (E)
	Applies the overlap matrices to the Hamiltonians: K = H-ES. More...

function	Calc_Effective_Hamiltonians (E)
	Calculates the effective Hamiltonians according to Eq (48) of of PRB 78, 035407. More...

function	Calc_Effective_Hamiltonians (E, varargin)
	Calculates the effective Hamiltonians according to Eq (48) of of PRB 78, 035407. More...

function	CalcSpektrum (varargin)
	Calculates the band structure of the lead. More...

function	Clear (MemberName)
	Clears the value of an attribute in the interface. More...

function	CreateClone (varargin)
	Creates a clone of the present object. More...

function	CreateClone ()
	Creates a clone of the present class. More...

function	CreateHamiltonians (varargin)
	Creates the Hamiltonians H_0 and H_1 of the lead. More...

function	Decimate_Hamiltonians ()
	Performing SVD regularization. More...

function	diagInv (A)
	Calculates the diagonal part of the inverse of a sparse matrix. More...

function	display (message, nosilent)
	Displays output messages on the screen. More...

function	eig (A, B)
	Calculates the generalized eigenvalue problem based on the zggev and dggev LAPACK functions. More...

function	Get_Effective_Coordinates ()
	Gets the coordinates of the sites of the effective Hamiltonians. More...

function	Get_Effective_Hamiltonians ()
	Gets the effective Hamiltonians of the interface region. More...

function	Get_Effective_Overlaps ()
	Gets the effective Hamiltonians S0_eff, S1_eff, S1adj_eff according to Eq (48) of of PRB 78, 035407. More...

function	Get_Neff ()
	Gets the effective number of sites after the elimination of the singular values. More...

function	Get_V ()
	Gets the total transformation U related to the SVD transformation. More...

function	getOpt ()
	Retrives the structure containing the calculation parameters. More...

function	getProgramName ()
	Gets the name of the package. More...

function	getProgramShortName ()
	Gets the short name of the package. More...

function	getVersion ()
	Gets the current version of the package. More...

function	InterfaceRegion (Opt, param, varargin)
	Constructor of the class. More...

function	is_SVD_needed ()
	Decides whether SVD regularization is needed or not. More...

function	IsDeployedMKL ()
	Checks whether the MKL component is deployed. More...

function	isSuperconducting ()
	Test, whether the lead is in the superconducting phase or not. More...

function	MomentumDependentHamiltonian (k, q)
	Construct a momentum dependent (Fourier-transformed) Hamiltonian. More...

function	partialInv (A, sizeInv)
	Calculates a partial inverse of a sparse matrix. More...

function	Read (MemberName)
	Query for the value of an attribute in the interface. More...

function	Reset ()
	Resets all elements in the object. More...

function	saveLeads ()
	Save Lead Hamiltonians into a file 'Hamiltoni_Lead_' + num2str(Hanyadik_Lead) + '.mat'. More...

function	ShiftCoordinates (shift)
	Shifts the coordinates of the sites by an integer multiple of the lattice vector Coordinates.a. More...

function	ShiftLead (Energy)
	Shifts the on-site energies in the leads by a given energy. More...

function	SVD_transform ()
	Regularize the Hamiltonians of the lead by SVD regularization. More...

function	SVD_transform (Lead)
	Transforms the Hamiltonians of the interface region according to the SVD regularization in the lead. More...

function	SVDdecompozition ()
	Calculates the SVD decomposition of the matrix H1. More...

function	Transform2BdG ()
	Transforms the Hamiltonians and the overlap matrices into the BdG model. More...

function	Transform2Spin ()
	Transforms the Hamiltonians and the overlap matrices to include electron spin. More...

function	Unitary_Transform (Umtx)
	Transforms the effective Hamiltonians by a unitary transformation. More...

function	Write (MemberName, input)
	Sets the value of an attribute in the interface. More...

function	xmlread (filename)
	Function to load XML files (based on xerces libraries), providing octave compatibility. More...

function	xmlwrite (filename, DOM)
	Function to export XML files (based on xerces libraries), providing octave compatibility. More...

Static Public Member Functions
static function	BadInputType (variable, type)
	Throws a "bad input type" warning, with using the default value. More...

static function	BadInputTypeNoDefault (variable, type)
	Throws a "bad input type" warning without setting it to default. More...

static function	checkMEXfile (fncname)
	Checks the presence of a given MEX file. More...

static function	ExceedIteration ()
	Throws an "iteration exceeded" warning. More...

static function	inv_SVD (A)
	Inverts badly conditioned matrix A with SVD regularization. More...

static function	isOctave ()
	Checks whether the running environment is matlab or octave. More...

static function	SimphsonInt (y, h)
	Simphson integral: y is a vector of function values at equal distant points: y_i = f(x_i), x_i-x_{i-1}=h. More...

Protected Member Functions
function	Extend_Wavefnc (wavefnc_reduced, expk)
	Extend a reduced wave function to the original basis before the SVD regularization (Eq (45) in PRB 78 035407. More...

function	Initialize ()
	Initializes class properties. More...

function	InputParsing (varargin)
	Parses the optional parameters for the class constructor. More...

function	setM ()
	Updates the number of sites in the cross section. More...

Protected Attributes
Property	coordinates
	An instance of the structure coordinates. More...

Property	coordinates2
	Coordinates of the surface sites of the scattering region to be connected to. More...

Property	DeployedMKL
	True if MKL component is built, false otherwise. More...

Property	fazis_mtx_H0
	The matrix of the Peierls phases in the unit cell. More...

Property	fazis_mtx_H1
	The matrix of the Peierls phases in the coupling matrix between the unit cells. More...

Property	fazis_mtx_H1t
	The matrix of the Peierls phases in the transverse coupling matrix between the unit cells. More...

Property	GaugeTransformationApplied
	A logical value. True if a gauge transformation was incorporated into the Hamiltonians or false otherwise. More...

Property	H0
	The Hamiltonian of a unit cell. More...

Property	H00
	Obsolete. More...

Property	H1
	The coupling Hamiltonian between the unit cells. More...

Property	H1_skew_left
	The skew coupling (in the positive direction) between Hamiltonians H0 for transverse calculations. More...

Property	H1_skew_right
	The skew upward (in the negative direction) coupling between Hamiltonians H0 for transverse calculations. More...

Property	H1_transverse
	The transverse coupling between the slabs for transverse calculations. More...

Property	H1adj
	The coupling Hamiltonian between the unit cells in the opposite direction as H1. (For complex energies they differ from each other.) More...

Property	HamiltoniansCreated
	A logical value. True if the Hamiltonians were created, false otherwise. More...

Property	HamiltoniansDecimated
	A logical value. True if the Hamiltonians were decimated, false otherwise. More...

Property	Hanyadik_Lead
	The id number of the current lead. More...

Property	Hcoupling
	Coupling Hamiltonian from the interface region to the scattering region. More...

Property	Hcouplingadj
	Coupling Hamiltonian from the scattering region to the interface region. More...

Property	Hinterface
	Hamiltonian of the interface region. More...

Property	is_SVD_transformed
	true if the Hamiltonians were SVD transformed, false otherwise More...

Property	K0
	K0=H0-E*S0, see Eq (4) of PRB 78, 035407. More...

Property	K00
	Effective Hamiltonian of the interface region. More...

Property	K1
	K1=H1-E*S1, see Eq (4) of PRB 78, 035407. More...

Property	K1_transverse
	K1_transverse=H1_transverse-E*S1_transverse. More...

Property	K1adj
	K1adj=H1adj-E*S1', see Eq (4) of PRB 78, 035407. More...

Property	Kcoupling
	Hcoupling-E*Scoupling. More...

Property	Kcouplingadj
	Hcouplingadj-E*Scoupling'. More...

Property	Kinterface
	Hinterface -E*Sinterface. More...

Property	kulso_szabfokok
	List of sites in the unit cell that should be kept after decimation. More...

Property	Lead_Orientation
	The orientation of the lead. Set +1 is the "incoming" direction of the propagating states is defined in the +x or +y direction, and "-1" otherwise. More...

Property	M
	The number of the sites in the cross section. More...

Property	MagneticFieldApplied
	A logical value. True if magnetic field was applied in the Hamiltonians, false otherwise. More...

Property	MaxSize
	Maximal size of full matrixes to be handled. More...

Property	Neff
	Effective number of sites after the elimination of the singular values. More...

Property	next_SVD_cycle
	Somethimes it is needed to perform another SVD cycle to regularize the H1 matrix. More...

Property	Opt
	An instance of structure Opt. More...

Property	OverlapApplied
	A logical value. True if the overlap integrals were applied, false otherwise. More...

Property	param
	An instance of the structure param. More...

Property	params
	An instance of the structure lead_param. More...

Property	ProgramName
	Name of the package. More...

Property	ProgramShortName
	Short name of the package. More...

Property	q
	The tranverse momentum for transverse computations. More...

Property	S
	S matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407. More...

Property	S0
	The overlap integrals of a unit cell. More...

Property	S1
	The overlap integrals between the unit cells. More...

Property	S1_transverse
	The overlap integrals between the slabs for transverse calculations. More...

Property	S1adj
	The adjungate of the overlap integrals between the unit cells. More...

Property	Scoupling
	Overlap integrals corresponding to Hcoupling. More...

Property	Sinterface
	Overlap integrals corresponding to Hinterface. More...

Property	tolerance
	SVD tolerance to identify singular values. More...

Property	U
	U matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407. More...

Property	V
	V matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407. More...

Property	varargin
	list of optional parameters (see http://www.mathworks.com/help/matlab/ref/varargin.html for details) More...

Property	version
	The current version of the package. More...

Detailed Description

A class describing the interface region between the scattering region and a lead.

Available

EQuUs v4.8 or later

Definition at line 26 of file InterfaceRegion.m.

Constructor & Destructor Documentation

◆ InterfaceRegion()

function InterfaceRegion::InterfaceRegion	(	Opt	,
		param	,
		varargin
	)

Constructor of the class.

Parameters

Opt	An instance of the structure Opt.
param	An instance of structure param.
varargin	Cell array of optional parameters identical to SVDregularizationLead.SVDregularizationLead.

Returns: An instance of the class

Member Function Documentation

◆ AddPotential()

function CreateLeadHamiltonians::AddPotential ( V )

inherited

Adds on-site potential to the Hamiltonian H0.

Parameters

V	The potential calculated on the sites.

◆ ApplyOverlapMatrices()

function InterfaceRegion::ApplyOverlapMatrices ( E )

Applies the overlap matrices to the Hamiltonians: K = H-ES.

Parameters

E	The energy value.

◆ BadInputType()

static function Messages::BadInputType	(	variable	,
		type
	)

staticinherited

Throws a "bad input type" warning, with using the default value.

Parameters

variable	A string conatining the name of the variable.
type	A string describing the desired type.

◆ BadInputTypeNoDefault()

static function Messages::BadInputTypeNoDefault	(	variable	,
		type
	)

staticinherited

Throws a "bad input type" warning without setting it to default.

Parameters

variable	A string conatining the name of the variable.
type	A string describing the desired type.

◆ Calc_Effective_Hamiltonians() [1/2]

function SVDregularizationLead::Calc_Effective_Hamiltonians ( E )

inherited

Calculates the effective Hamiltonians according to Eq (48) of of PRB 78, 035407.

Parameters

E	The energy value

◆ Calc_Effective_Hamiltonians() [2/2]

function InterfaceRegion::Calc_Effective_Hamiltonians	(	E	,
		varargin
	)

Calculates the effective Hamiltonians according to Eq (48) of of PRB 78, 035407.

Parameters

E	The energy value
varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'Lead'	An instance of class SVDregularizationLead (or its subclass) providing a source for the SVD matrices.

◆ CalcSpektrum()

function CreateLeadHamiltonians::CalcSpektrum ( varargin )

inherited

Calculates the band structure of the lead.

Parameters

varargin	Cell array of optional parameters:
'toPlot'	Set 1 in order to plot the calculated spectrum, 0 (default) otherwise
'ka_min'	The lower bound of the wave numbers. (Default is -pi.)
'ka_max'	The upper bound of the wave numbers. (Default is pi.)
'ka_num'	The number of wave number points involved in the calculations. (Default is 300.)
'ka_vec'	One dimensional array of the k-pints. (Overrides previous attributes related to the k-vector array.)
'center'	The calculated energy eigenvalues are centered around this value. (Default is 0.001.)
'db'	The number of the calculated eigenvalues.
'offset'	Offset value to shift the spectrum along the energy axis.
'calcWaveFnc'	Logical value. Set true to calculate also the wave functions, or false (default) otherwise.

Returns: [1] ka_num x 2 array of the calculated spactrum. In the first column are the k-points, whil ein the second columns are the calculated energy points.; [2] The calculated wave functions stored in a structure WaveFnc.

◆ checkMEXfile()

static function CommonFunctions::checkMEXfile ( fncname )

staticinherited

Checks the presence of a given MEX file.

Parameters

fncname The name of the function.

Returns: Returns true if the MEX file is present, false otherwise.

◆ Clear()

function InterfaceRegion::Clear ( MemberName )

Clears the value of an attribute in the interface.

Parameters

MemberName The name of the attribute to be cleared.

◆ CreateClone() [1/2]

function SVDregularizationLead::CreateClone ( varargin )

inherited

Creates a clone of the present object.

Returns: Returns with the cloned object.

Parameters

varargin Cell array of optional parameters:.

◆ CreateClone() [2/2]

function InterfaceRegion::CreateClone ( )

Creates a clone of the present class.

Returns: Returns with the cloned object.

◆ CreateHamiltonians()

function CreateLeadHamiltonians::CreateHamiltonians ( varargin )

inherited

Creates the Hamiltonians H_0 and H_1 of the lead.

The created Hamiltonians are stored by within the object.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'toSave'	Logical value. If true, the created Hamiltonians are saved into a file 'Hamiltoni_Lead_' + num2str(Hanyadik_Lead) + '.mat'.
'CustomHamiltonian'	An instance of class Custom_Hamiltonians describing external source of Hamiltonians.

◆ Decimate_Hamiltonians()

function InterfaceRegion::Decimate_Hamiltonians ( )

Performing SVD regularization.

SVD transform the coupling Hamiltonians Decimates the Hamiltonians of the interface region.

◆ diagInv()

function CommonFunctions::diagInv ( A )

inherited

Calculates the diagonal part of the inverse of a sparse matrix.

If MKL component is advised to build.

Parameters

A	A sparse matrix to be inverted

Returns: Returns the diagonal elements of the inverse

◆ display()

function Messages::display	(	message	,
		nosilent
	)

inherited

Displays output messages on the screen.

Parameters

message	String containing the message to be displayed
nosilent	Set true to override the silent option given in Opt.Silent.

◆ eig()

function CommonFunctions::eig	(	A	,
		B
	)

inherited

Calculates the generalized eigenvalue problem based on the zggev and dggev LAPACK functions.

Parameters

A	A square matrix on the left side.
B	A square matrix on the right side.

Returns: Returns the calculated generalized eigenvalues and the right and left sided eigenvectors.

◆ ExceedIteration()

static function Messages::ExceedIteration ( )

staticinherited

Throws an "iteration exceeded" warning.

◆ Extend_Wavefnc()

function SVDregularizationLead::Extend_Wavefnc	(	wavefnc_reduced	,
		expk
	)

protectedinherited

Extend a reduced wave function to the original basis before the SVD regularization (Eq (45) in PRB 78 035407.

Parameters

wavefnc_reduced	The reduced wavefunction of the effective system
expk	e^(i*k)

Returns: A matrix conatining the extended wave functions.

◆ Get_Effective_Coordinates()

function SVDregularizationLead::Get_Effective_Coordinates ( )

inherited

Gets the coordinates of the sites of the effective Hamiltonians.

(Has sense if the singular sites were given directly)

Returns: [1] A class Coordinates containing the coordinates of the sites of the effective Hamiltonian

◆ Get_Effective_Hamiltonians()

function InterfaceRegion::Get_Effective_Hamiltonians ( )

Gets the effective Hamiltonians of the interface region.

Returns: [1] The effective Hamiltonian of the unit cell; [2] The effective coupling between the unit cells; [3] The adjungate of the effective coupling between the unit cells; [4] The effective coupling between the lead and the scattering region; [5] The adjungate of the effective coupling between the lead and the scattering region

◆ Get_Effective_Overlaps()

function SVDregularizationLead::Get_Effective_Overlaps ( )

inherited

Gets the effective Hamiltonians S0_eff, S1_eff, S1adj_eff according to Eq (48) of of PRB 78, 035407.

Returns: [1] The effective overlap matrix of one unit cell S0_eff; [2] The effective overlap matrix between unit cells S1_eff; [3] The adjungate of the effective overlap matrix between unit cells S1adj_eff

◆ Get_Neff()

function InterfaceRegion::Get_Neff ( )

Gets the effective number of sites after the elimination of the singular values.

Returns: Returns with the effective number of sites

◆ Get_V()

function SVDregularizationLead::Get_V ( )

inherited

Gets the total transformation U related to the SVD transformation.

Returns: Returns with the total transformation U

◆ getOpt()

function Messages::getOpt ( )

inherited

Retrives the structure containing the calculation parameters.

Returns: Return an instance of structure Opt.

◆ getProgramName()

function CommonFunctions::getProgramName ( )

inherited

Gets the name of the package.

Returns: Returns the name of the package.

◆ getProgramShortName()

function CommonFunctions::getProgramShortName ( )

inherited

Gets the short name of the package.

Returns: Returns the short name of the package.

◆ getVersion()

function CommonFunctions::getVersion ( )

inherited

Gets the current version of the package.

Returns: Returns the current version of the package.

◆ Initialize()

function SVDregularizationLead::Initialize ( )

protectedinherited

Initializes class properties.

◆ InputParsing()

function CreateLeadHamiltonians::InputParsing ( varargin )

protectedinherited

Parses the optional parameters for the class constructor.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'Hanyadik_Lead'	The ID number of the current lead. Set to empty (default) for using parameters of the scatter region.
'Lead_Orientation'	Orientation of the lead. Set +1 (default) is the "incoming" direction of the propagating states is defined in the +x or +y direction, and "-1" otherwise.
'q'	The transverse momentum. Set to empty (default) for computations without transverse momentums.

◆ inv_SVD()

static function CommonFunctions::inv_SVD ( A )

staticinherited

Inverts badly conditioned matrix A with SVD regularization.

Parameters

A	A square matrix to be inverted.

Returns: Returns the calculated inverse.

◆ is_SVD_needed()

function SVDregularizationLead::is_SVD_needed ( )

inherited

Decides whether SVD regularization is needed or not.

Returns: Returns with true if SVD regularization is needed, false otherwise

◆ IsDeployedMKL()

function CommonFunctions::IsDeployedMKL ( )

inherited

Checks whether the MKL component is deployed.

Returns: Returns with true if MKL component is deployed, false otherwise.

◆ isOctave()

static function CommonFunctions::isOctave ( )

staticinherited

Checks whether the running environment is matlab or octave.

Returns: Returns true if running environment is octave, false otherwise.

◆ isSuperconducting()

function CreateLeadHamiltonians::isSuperconducting ( )

inherited

Test, whether the lead is in the superconducting phase or not.

Returns: True if the lead is superconducting, false otherwise.

◆ MomentumDependentHamiltonian()

function CreateLeadHamiltonians::MomentumDependentHamiltonian	(	k	,
		q
	)

inherited

Construct a momentum dependent (Fourier-transformed) Hamiltonian.

Parameters

k	The longitudinal momentum times the lattice constant.
q	The transverse momentum times the lattice constant.

Returns: Return with the momentum dependent Hamiltonian.

◆ partialInv()

function CommonFunctions::partialInv	(	A	,
		sizeInv
	)

inherited

Calculates a partial inverse of a sparse matrix.

If MKL component is not developed, the backslash operator is used insted.

Parameters

A	A sparse matrix to be inverted
sizeInv	The size of partial inverse to be calculated.

Returns: Returns the calculated partial inverse

◆ Read()

function InterfaceRegion::Read ( MemberName )

Query for the value of an attribute in the interface.

Parameters

MemberName The name of the attribute to be set.

Returns: Returns with the value of the attribute.

◆ Reset()

function InterfaceRegion::Reset ( )

Resets all elements in the object.

◆ saveLeads()

function CreateLeadHamiltonians::saveLeads ( )

inherited

Save Lead Hamiltonians into a file 'Hamiltoni_Lead_' + num2str(Hanyadik_Lead) + '.mat'.

◆ setM()

function CreateLeadHamiltonians::setM ( )

protectedinherited

Updates the number of sites in the cross section.

◆ ShiftCoordinates()

function CreateLeadHamiltonians::ShiftCoordinates ( shift )

inherited

Shifts the coordinates of the sites by an integer multiple of the lattice vector Coordinates.a.

Parameters

shift Integer by which the coordinates are shifted.

◆ ShiftLead()

function CreateLeadHamiltonians::ShiftLead ( Energy )

inherited

Shifts the on-site energies in the leads by a given energy.

Parameters

Energy The enrgy value.

◆ SimphsonInt()

static function CommonFunctions::SimphsonInt	(	y	,
		h
	)

staticinherited

Simphson integral: y is a vector of function values at equal distant points: y_i = f(x_i), x_i-x_{i-1}=h.

Parameters

y	Function values to be integrated
h	Increment between the x_i points.

◆ SVD_transform() [1/2]

function SVDregularizationLead::SVD_transform ( )

inherited

Regularize the Hamiltonians of the lead by SVD regularization.

◆ SVD_transform() [2/2]

function InterfaceRegion::SVD_transform ( Lead )

Transforms the Hamiltonians of the interface region according to the SVD regularization in the lead.

Parameters

Lead	an instance of class SVDregularizationLead or its subclass representing the attached lead.

◆ SVDdecompozition()

function SVDregularizationLead::SVDdecompozition ( )

inherited

Calculates the SVD decomposition of the matrix H1.

◆ Transform2BdG()

function InterfaceRegion::Transform2BdG ( )

Transforms the Hamiltonians and the overlap matrices into the BdG model.

◆ Transform2Spin()

function CreateLeadHamiltonians::Transform2Spin ( )

inherited

Transforms the Hamiltonians and the overlap matrices to include electron spin.

◆ Unitary_Transform()

function InterfaceRegion::Unitary_Transform ( Umtx )

Transforms the effective Hamiltonians by a unitary transformation.

Parameters

Umtx	The matrix of the unitary transformation.

◆ Write()

function InterfaceRegion::Write	(	MemberName	,
		input
	)

Sets the value of an attribute in the interface.

Parameters

MemberName	The name of the attribute to be set.
input	The value to be set.

◆ xmlread()

function CommonFunctions::xmlread ( filename )

inherited

Function to load XML files (based on xerces libraries), providing octave compatibility.

Parameters

filename Absolute path to the file to be opened. (In matlab relative path is sufficient)

Returns: The loaded document object model (see http://www.mathworks.com/help/matlab/ref/xmlread.html#outputarg_DOMnode for details.)

◆ xmlwrite()

function CommonFunctions::xmlwrite	(	filename	,
		DOM
	)

inherited

Function to export XML files (based on xerces libraries), providing octave compatibility.

Parameters

filename	Absolute path to the file to be opened. (In matlab relative path is sufficient)
DOM	The loaded document object model (see http://www.mathworks.com/help/matlab/ref/xmlread.html#outputarg_DOMnode for details.)

Member Data Documentation

◆ coordinates

Property CreateLeadHamiltonians::coordinates

protectedinherited

An instance of the structure coordinates.

Definition at line 58 of file CreateLeadHamiltonians.m.

◆ coordinates2

Property InterfaceRegion::coordinates2

protected

Coordinates of the surface sites of the scattering region to be connected to.

Definition at line 61 of file InterfaceRegion.m.

◆ DeployedMKL

Property CommonFunctions::DeployedMKL

protectedinherited

True if MKL component is built, false otherwise.

Definition at line 32 of file CommonFunctions.m.

◆ fazis_mtx_H0

Property CreateLeadHamiltonians::fazis_mtx_H0

protectedinherited

The matrix of the Peierls phases in the unit cell.

Definition at line 106 of file CreateLeadHamiltonians.m.

◆ fazis_mtx_H1

Property CreateLeadHamiltonians::fazis_mtx_H1

protectedinherited

The matrix of the Peierls phases in the coupling matrix between the unit cells.

Definition at line 109 of file CreateLeadHamiltonians.m.

◆ fazis_mtx_H1t

Property CreateLeadHamiltonians::fazis_mtx_H1t

protectedinherited

The matrix of the Peierls phases in the transverse coupling matrix between the unit cells.

Definition at line 112 of file CreateLeadHamiltonians.m.

◆ GaugeTransformationApplied

Property CreateLeadHamiltonians::GaugeTransformationApplied

protectedinherited

A logical value. True if a gauge transformation was incorporated into the Hamiltonians or false otherwise.

Definition at line 127 of file CreateLeadHamiltonians.m.

◆ H0

Property CreateLeadHamiltonians::H0

protectedinherited

The Hamiltonian of a unit cell.

Definition at line 73 of file CreateLeadHamiltonians.m.

◆ H00

Property CreateLeadHamiltonians::H00

protectedinherited

Obsolete.

Definition at line 82 of file CreateLeadHamiltonians.m.

◆ H1

Property CreateLeadHamiltonians::H1

protectedinherited

The coupling Hamiltonian between the unit cells.

Definition at line 76 of file CreateLeadHamiltonians.m.

◆ H1_skew_left

Property CreateLeadHamiltonians::H1_skew_left

protectedinherited

The skew coupling (in the positive direction) between Hamiltonians H0 for transverse calculations.

Definition at line 91 of file CreateLeadHamiltonians.m.

◆ H1_skew_right

Property CreateLeadHamiltonians::H1_skew_right

protectedinherited

The skew upward (in the negative direction) coupling between Hamiltonians H0 for transverse calculations.

Definition at line 88 of file CreateLeadHamiltonians.m.

◆ H1_transverse

Property CreateLeadHamiltonians::H1_transverse

protectedinherited

The transverse coupling between the slabs for transverse calculations.

Definition at line 85 of file CreateLeadHamiltonians.m.

◆ H1adj

Property CreateLeadHamiltonians::H1adj

protectedinherited

The coupling Hamiltonian between the unit cells in the opposite direction as H1. (For complex energies they differ from each other.)

Definition at line 79 of file CreateLeadHamiltonians.m.

◆ HamiltoniansCreated

Property CreateLeadHamiltonians::HamiltoniansCreated

protectedinherited

A logical value. True if the Hamiltonians were created, false otherwise.

Definition at line 115 of file CreateLeadHamiltonians.m.

◆ HamiltoniansDecimated

Property CreateLeadHamiltonians::HamiltoniansDecimated

protectedinherited

A logical value. True if the Hamiltonians were decimated, false otherwise.

Definition at line 118 of file CreateLeadHamiltonians.m.

◆ Hanyadik_Lead

Property CreateLeadHamiltonians::Hanyadik_Lead

protectedinherited

The id number of the current lead.

Definition at line 43 of file CreateLeadHamiltonians.m.

◆ Hcoupling

Property InterfaceRegion::Hcoupling

protected

Coupling Hamiltonian from the interface region to the scattering region.

Definition at line 49 of file InterfaceRegion.m.

◆ Hcouplingadj

Property InterfaceRegion::Hcouplingadj

protected

Coupling Hamiltonian from the scattering region to the interface region.

Definition at line 52 of file InterfaceRegion.m.

◆ Hinterface

Property InterfaceRegion::Hinterface

protected

Hamiltonian of the interface region.

Definition at line 40 of file InterfaceRegion.m.

◆ is_SVD_transformed

Property SVDregularizationLead::is_SVD_transformed

protectedinherited

true if the Hamiltonians were SVD transformed, false otherwise

Definition at line 37 of file SVDregularizationLead.m.

◆ K0

Property CreateLeadHamiltonians::K0

protectedinherited

K0=H0-E*S0, see Eq (4) of PRB 78, 035407.

Definition at line 61 of file CreateLeadHamiltonians.m.

◆ K00

Property InterfaceRegion::K00

protected

Effective Hamiltonian of the interface region.

Definition at line 34 of file InterfaceRegion.m.

◆ K1

Property CreateLeadHamiltonians::K1

protectedinherited

K1=H1-E*S1, see Eq (4) of PRB 78, 035407.

Definition at line 64 of file CreateLeadHamiltonians.m.

◆ K1_transverse

Property CreateLeadHamiltonians::K1_transverse

protectedinherited

K1_transverse=H1_transverse-E*S1_transverse.

Definition at line 70 of file CreateLeadHamiltonians.m.

◆ K1adj

Property CreateLeadHamiltonians::K1adj

protectedinherited

K1adj=H1adj-E*S1', see Eq (4) of PRB 78, 035407.

Definition at line 67 of file CreateLeadHamiltonians.m.

◆ Kcoupling

Property InterfaceRegion::Kcoupling

protected

Hcoupling-E*Scoupling.

Definition at line 43 of file InterfaceRegion.m.

◆ Kcouplingadj

Property InterfaceRegion::Kcouplingadj

protected

Hcouplingadj-E*Scoupling'.

Definition at line 46 of file InterfaceRegion.m.

◆ Kinterface

Property InterfaceRegion::Kinterface

protected

Hinterface -E*Sinterface.

Definition at line 37 of file InterfaceRegion.m.

◆ kulso_szabfokok

Property CreateLeadHamiltonians::kulso_szabfokok

protectedinherited

List of sites in the unit cell that should be kept after decimation.

Definition at line 55 of file CreateLeadHamiltonians.m.

◆ Lead_Orientation

Property CreateLeadHamiltonians::Lead_Orientation

protectedinherited

The orientation of the lead. Set +1 is the "incoming" direction of the propagating states is defined in the +x or +y direction, and "-1" otherwise.

Definition at line 40 of file CreateLeadHamiltonians.m.

◆ M

Property CreateLeadHamiltonians::M

protectedinherited

The number of the sites in the cross section.

Definition at line 46 of file CreateLeadHamiltonians.m.

◆ MagneticFieldApplied

Property CreateLeadHamiltonians::MagneticFieldApplied

protectedinherited

A logical value. True if magnetic field was applied in the Hamiltonians, false otherwise.

Definition at line 124 of file CreateLeadHamiltonians.m.

◆ MaxSize

Property CommonFunctions::MaxSize

protectedinherited

Maximal size of full matrixes to be handled.

Definition at line 44 of file CommonFunctions.m.

◆ Neff

Property SVDregularizationLead::Neff

protectedinherited

Effective number of sites after the elimination of the singular values.

Definition at line 55 of file SVDregularizationLead.m.

◆ next_SVD_cycle

Property SVDregularizationLead::next_SVD_cycle

protectedinherited

Somethimes it is needed to perform another SVD cycle to regularize the H1 matrix.

Definition at line 52 of file SVDregularizationLead.m.

◆ Opt

Property Messages::Opt

protectedinherited

An instance of structure Opt.

Definition at line 31 of file Messages.m.

◆ OverlapApplied

Property CreateLeadHamiltonians::OverlapApplied

protectedinherited

A logical value. True if the overlap integrals were applied, false otherwise.

Definition at line 121 of file CreateLeadHamiltonians.m.

◆ param

Property CreateLeadHamiltonians::param

protectedinherited

An instance of the structure param.

Definition at line 37 of file CreateLeadHamiltonians.m.

◆ params

Property CreateLeadHamiltonians::params

protectedinherited

An instance of the structure lead_param.

Definition at line 49 of file CreateLeadHamiltonians.m.

◆ ProgramName

Property CommonFunctions::ProgramName

protectedinherited

Name of the package.

Definition at line 38 of file CommonFunctions.m.

◆ ProgramShortName

Property CommonFunctions::ProgramShortName

protectedinherited

Short name of the package.

Definition at line 41 of file CommonFunctions.m.

◆ q

Property CreateLeadHamiltonians::q

protectedinherited

The tranverse momentum for transverse computations.

Definition at line 52 of file CreateLeadHamiltonians.m.

◆ S

Property SVDregularizationLead::S

protectedinherited

S matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407.

Definition at line 43 of file SVDregularizationLead.m.

◆ S0

Property CreateLeadHamiltonians::S0

protectedinherited

The overlap integrals of a unit cell.

Definition at line 94 of file CreateLeadHamiltonians.m.

◆ S1

Property CreateLeadHamiltonians::S1

protectedinherited

The overlap integrals between the unit cells.

Definition at line 97 of file CreateLeadHamiltonians.m.

◆ S1_transverse

Property CreateLeadHamiltonians::S1_transverse

protectedinherited

The overlap integrals between the slabs for transverse calculations.

Definition at line 103 of file CreateLeadHamiltonians.m.

◆ S1adj

Property CreateLeadHamiltonians::S1adj

protectedinherited

The adjungate of the overlap integrals between the unit cells.

Definition at line 100 of file CreateLeadHamiltonians.m.

◆ Scoupling

Property InterfaceRegion::Scoupling

protected

Overlap integrals corresponding to Hcoupling.

Definition at line 55 of file InterfaceRegion.m.

◆ Sinterface

Property InterfaceRegion::Sinterface

protected

Overlap integrals corresponding to Hinterface.

Definition at line 58 of file InterfaceRegion.m.

◆ tolerance

Property SVDregularizationLead::tolerance

protectedinherited

SVD tolerance to identify singular values.

Definition at line 49 of file SVDregularizationLead.m.

◆ U

Property SVDregularizationLead::U

protectedinherited

U matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407.

Definition at line 40 of file SVDregularizationLead.m.

◆ V

Property SVDregularizationLead::V

protectedinherited

V matrix from the SVD decompozition, see Eq (41) of PRB 78, 035407.

Definition at line 46 of file SVDregularizationLead.m.

◆ varargin

Property CreateLeadHamiltonians::varargin

protectedinherited

list of optional parameters (see http://www.mathworks.com/help/matlab/ref/varargin.html for details)

Definition at line 130 of file CreateLeadHamiltonians.m.

◆ version

Property CommonFunctions::version

protectedinherited

The current version of the package.

Definition at line 35 of file CommonFunctions.m.

The documentation for this class was generated from the following file:

InterfaceRegion.m

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Available

Constructor & Destructor Documentation

◆ InterfaceRegion()

Member Function Documentation

◆ AddPotential()

◆ ApplyOverlapMatrices()

◆ BadInputType()

◆ BadInputTypeNoDefault()

◆ Calc_Effective_Hamiltonians() [1/2]

◆ Calc_Effective_Hamiltonians() [2/2]

◆ CalcSpektrum()

◆ checkMEXfile()

◆ Clear()

◆ CreateClone() [1/2]

◆ CreateClone() [2/2]

◆ CreateHamiltonians()

◆ Decimate_Hamiltonians()

◆ diagInv()

◆ display()

◆ eig()

◆ ExceedIteration()

◆ Extend_Wavefnc()

◆ Get_Effective_Coordinates()

◆ Get_Effective_Hamiltonians()

◆ Get_Effective_Overlaps()

◆ Get_Neff()

◆ Get_V()

◆ getOpt()

◆ getProgramName()

◆ getProgramShortName()

◆ getVersion()

◆ Initialize()

◆ InputParsing()

◆ inv_SVD()

◆ is_SVD_needed()

◆ IsDeployedMKL()

◆ isOctave()

◆ isSuperconducting()

◆ MomentumDependentHamiltonian()

◆ partialInv()

◆ Read()

◆ Reset()

◆ saveLeads()

◆ setM()

◆ ShiftCoordinates()

◆ ShiftLead()

◆ SimphsonInt()

◆ SVD_transform() [1/2]

◆ SVD_transform() [2/2]

◆ SVDdecompozition()

◆ Transform2BdG()

◆ Transform2Spin()

◆ Unitary_Transform()

◆ Write()

◆ xmlread()

◆ xmlwrite()

Member Data Documentation

◆ coordinates

◆ coordinates2

◆ DeployedMKL

◆ fazis_mtx_H0

◆ fazis_mtx_H1

◆ fazis_mtx_H1t

◆ GaugeTransformationApplied

◆ H0

◆ H00

◆ H1

◆ H1_skew_left

◆ H1_skew_right

◆ H1_transverse

◆ H1adj

◆ HamiltoniansCreated

◆ HamiltoniansDecimated

◆ Hanyadik_Lead

◆ Hcoupling