A class describing an N-terminal geometry for steady state non-equilibrium calculations. More...

Inheritance diagram for NTerminal_Keldysh:

[legend]

Public Member Functions
function	ApplyPotentialInScatter (CreateH, scatterPotential)
	Applies the potential in the scattering region. More...

function	CalcFiniteGreensFunction (varargin)
	Calculates the Green operator of the scattering region. More...

function	CalcFiniteGreensFunctionFromHamiltonian (varargin)
	Calculates the Green operator of the scattering region from the whole Hamiltonian. More...

function	CalcSpectralFunction (Energy, varargin)
	Calculates the spectral density and the Green operator. More...

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

function	CreateInterface (idx)
	Creates the Hamiltonians for the interface regions between the leads and scattering center. More...

function	CreateScatter ()
	Creates an instance of class CreateHamiltonians for storing and manipulate the Hamiltonian of the the scattering region. The created object is stored in attribute CreateH. More...

function	CustomDysonFunc (varargin)
	Custom Dyson function for a two terminal arrangement on a two dimensional lattice. More...

function	DecimationFunction (kulso_szabfokok, ginv, varargin)
	calculate the inverse Greens function 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	Fermi (E)
	A function of the Fermi-Dirac statistics. More...

function	getCoordinates ()
	Gets the coordinates of the central region. More...

function	getEnergy ()
	Retrives the energy value (attribute E) used in the calculations. More...

function	getFermiEnergy ()
	Retrives the Fermi level (attribute EF) used in the calculations. More...

function	GetFiniteGreensFunction ()
	Query fo the calculated Green operator of the scattering center. More...

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

function	getParam ()
	Retrives a copy of the structure param used in the current calculations. More...

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

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

function	getTransverseMomentum ()
	Retrives the value of the transverse momentum quantum number. More...

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

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

function	LesserGreenFunction (varargin)
	Calculates the lesser Green function projected to the surface sites of the central device and the interface regions for eregy given E. More...

function	NTerminal_Keldysh (varargin)
	Constructor of the class. More...

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

function	setEnergy (Energy)
	Sets the energy for the calculations. More...

function	setHandlesForMagneticField (varargin)
	Sets the function handles of the vector potential and gauge transformation. More...

function	setInterfaceRegions (Interface_Regions)
	Replaces the attribute Interface_Region with the given value. More...

function	setParam (param)
	cloning the individual attributes More...

function	setTemperature (T)
	Sets the temperature in the calculations. More...

function	Transport (Energy, varargin)
	Calculates the transport through the two terminal setup. 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...

Public Attributes
Property	cCustom_Hamiltonians
	An instance of class Custom_Hamiltonians to load the Hamiltonians from external source. More...

Property	CreateH
	An instance of class CreateHamiltonians or its subclass to manipulate the Hamiltonian of the scattering region. More...

Property	filenameIn
	Input filename containing the computational parameters. (Obsolete) More...

Property	filenameOut
	Output filename to export the computational parameters. More...

Property	FL_handles
	An instance of class Transport_Interface (or its subclass) for transport calculations. More...

Property	gauge_field
	Function handle S = f( x,y) of the gauge transformation in the scattering center. (S is a N x 1 vector, where N is the number of the points given by the x and y coordinates.) More...

Property	Interface_Regions
	A cell array of classes InterfaceRegion to describe the interface region between the leads and the scattering region. More...

Property	interfacemodel
	function handle for individual physical model of the interface regions More...

Property	leadmodel
	function handle for individual physical model of the leads More...

Property	PeierlsTransform_Leads
	An instance of class Peierls object to describe the peirls substitution in the leads. More...

Property	PeierlsTransform_Scatter
	An instance of class Peierls object to describe the peirls substitution in the scattering region. More...

Property	silent
	if true, no output messages are print More...

Property	WorkingDir
	A string of the working directory. More...

Protected Member Functions
function	CreateHandles ()
	Initializes the attributes of the class. More...

function	CreateNTerminalHamiltonians ()
	calculating the potential if the scattering potential has one input arguments obtaining coordinates of the scattering region More...

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

Protected Attributes
Property	beta
	$\beta = 1/(k_BT)$ More...

Property	bias_leads
	An array containing the bias of the leads in the same unit as other energy scales in the Hamiltonians. More...

Property	CustomHamiltoniansHandle
	Function handle to create custom Hamiltonians. Has the same inputs ans outputs as Custom_Hamiltonians.LoadHamiltonians. More...

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

Property	E
	The energy used in the calculations. More...

Property	EF
	The Fermi energy. Attribute E is measured from this value. (Use for equilibrium calculations in the zero temperature limit.) More...

Property	G
	Green operator of the scattering region. More...

Property	Ginv
	The inverse of the Green operator G. More...

Property	k_B
	Boltzmann constant in eV/K. More...

Property	lesserG
	Lesser Green operator projected onto the scattering region. More...

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

Property	mu
	The Chemical potential in the same unit as other energy scales in the Hamiltonians. More...

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

Property	param
	An instance of strucutre param. More...

Property	ProgramName
	Name of the package. More...

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

Property	q
	The transverse momentum quantum number. More...

Property	T
	The temperature in Kelvin. More...

Property	T_treshold
	treshold temperature (makes difference between T=0 and T>0) More...

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

Detailed Description

A class describing an N-terminal geometry for steady state non-equilibrium calculations.

Available

EQuUs v4.9 or later

Structure described by the class

The drawing represents a two-terminal structure made of two leads, of a scattering region and of two interface regions between the leads and scattering center. However, additional lead can be added to the structure. Each rectangle describes a unit cell including singular and non-singular sites. The scattering center is, on the other hand, represented by a larger rectangle corresponding to the Hamiltonian of the scattering region. Arrows indicate the hopping direction stored by the attributes in the corresponding classes (see attributes CreateLeadHamiltonians.H1 and InterfaceRegion.Hcoupling for details). The orientation of the lead is +1 if the lead is terminated by the interface region in the positive direction, and -1 if the lead is terminated by the interface region in the negative direction. (see attribute CreateLeadHamiltonians.Lead_Orientation for details)

Definition at line 38 of file NTerminal_Keldysh.m.

Constructor & Destructor Documentation

◆ NTerminal_Keldysh()

function NTerminal_Keldysh::NTerminal_Keldysh ( varargin )

Constructor of the class.

Parameters

varargin Cell array of optional parameters. For details see InputParsing.

Returns: An instance of the class

Member Function Documentation

◆ ApplyPotentialInScatter()

function NTerminal::ApplyPotentialInScatter	(	CreateH	,
		scatterPotential
	)

inherited

Applies the potential in the scattering region.

Parameters

CreateH	An instance of class CreateHamiltonians containing the Hamiltonian of the scattering center.
scatterPotential	A function handle pot=f( #coordinates ) or pot=f( CreateHamiltonians, Energy) for the potential to be applied in the Hamiltonian (used when FiniteGreensFunctionFromHamiltonian=true).

◆ 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.

◆ CalcFiniteGreensFunction()

function NTerminal::CalcFiniteGreensFunction ( varargin )

inherited

Calculates the Green operator of the scattering region.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'gauge_trans'	Logical value. Set true to perform gauge transformation on the Green operator and on the Hamiltonians.
'onlyGinv'	Logical value. Set true to calculate only the inverse of the surface Greens function Ginv, or false (default) to calculate G as well. In the latter case the attribute Ginv is set to empty at the end.

◆ CalcFiniteGreensFunctionFromHamiltonian()

function NTerminal::CalcFiniteGreensFunctionFromHamiltonian ( varargin )

inherited

Calculates the Green operator of the scattering region from the whole Hamiltonian.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'gauge_trans'	Logical value. Set true to perform gauge transformation on the Green operator and on the Hamiltonians.
'onlyGinv'	Logical value. Set true to calculate only the inverse of the surface Greens function Ginv, or false (default) to calculate G as well. In the latter case the attribute Ginv is set to empty at the end.
'PotInScatter'	Obsolete parameter. Use 'scatterPotential' instead.
'scatterPotential'	A function handle pot=f( #coordinates ) or pot=f( CreateHamiltonians, Energy) for the potential to be applied in the Hamiltonian (used when FiniteGreensFunctionFromHamiltonian=true).

◆ CalcSpectralFunction()

function NTerminal::CalcSpectralFunction	(	Energy	,
		varargin
	)

inherited

Calculates the spectral density and the Green operator.

Parameters

Energy	The energy value.
varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'constant_channels'	Logical value. Set true (default) to keep constant the number of the open channels in the leads for each energy value, or false otherwise.
'gfininvfromHamiltonian'	Logical value. Set true calculate the surface Greens function of the scattering region from the Hamiltonaian of the scattering region, or false (default) to calculate it by the fast way (see Phys. Rev. B 90, 125428 (2014) for details).
'decimateDyson'	Logical value. Set true (default) to decimate the sites of the scattering region in the Dyson equation.
'PotInScatter'	Obsolete parameter. Use 'scatterPotential' instead.
'scatterPotential'	A function handle pot=f( #coordinates ) or pot=f( CreateHamiltonians, Energy) for the potential to be applied in the Hamiltonian (used when FiniteGreensFunctionFromHamiltonian=true).
'selfEnergy'	Logical value. Set true to use the self energies of the leads in the Dyson equation, or false (default) to use the surface Green function instead.

Returns: [1] The spectral density.; [2] The Green operator.

◆ 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.

◆ CreateClone()

function NTerminal::CreateClone ( )

inherited

Creates a clone of the present object.

Returns: Returns with the cloned object.

◆ CreateHandles()

function NTerminal_Keldysh::CreateHandles ( )

protected

Initializes the attributes of the class.

◆ CreateInterface()

function NTerminal::CreateInterface ( idx )

inherited

Creates the Hamiltonians for the interface regions between the leads and scattering center.

Parameters

idx	Identification number of the interface region.

◆ CreateNTerminalHamiltonians()

function NTerminal::CreateNTerminalHamiltonians ( )

protectedinherited

calculating the potential if the scattering potential has one input arguments obtaining coordinates of the scattering region

calculating the potential from the coordinates calculating the potential if the scattering potential has two input arguments obtaining coordinates of the scattering region that might have been changed inside the scatterPotential function Extracts the Hamiltonians from the external source.

◆ CreateScatter()

function NTerminal::CreateScatter ( )

inherited

Creates an instance of class CreateHamiltonians for storing and manipulate the Hamiltonian of the the scattering region. The created object is stored in attribute CreateH.

◆ CustomDysonFunc()

function NTerminal_Keldysh::CustomDysonFunc ( varargin )

Custom Dyson function for a two terminal arrangement on a two dimensional lattice.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'gfininv'	The inverse of the Greens function of the scattering region. For default the inverse of the attribute G is used.
'constant_channels'	Logical value. Set true (default) to keep constant the number of the open channels in the leads for each energy value, or false otherwise.
'onlyGinverz'	Logical value. Set true to calculate only the inverse of the total Green operator, or false (default) to calculate G as well.
'recalculateSurface'	A vector of the identification numbers of the lead surfaces to be recalculated.
'decimate'	Logical value. Set true (default) to eliminate all inner sites in the Greens function and keep only the selected sites. Set false to omit the decimation procedure.
'kulso_szabfokok'	Array of sites to be kept after the decimation procedure. (Use parameter 'keep_sites' instead)
'selfEnergy'	Logical value. Set true to use the self energies of the leads in the Dyson equation, or false (default) to use the surface Green function instead.
'keep_sites'	Name of sites to be kept in the resulted Green function (Possible values are: 'scatter', 'interface', 'lead').

Returns: [1] The calculated Greens function.; [2] The inverse of the Green operator.; [3] An instance of structure junction_sites describing the sites in the calculated Green operator.

◆ DecimationFunction()

function NTerminal::DecimationFunction	(	kulso_szabfokok	,
		ginv	,
		varargin
	)

inherited

calculate the inverse Greens function

getting dimensions Performs the decimation procedure on the inverse Green operator.

Parameters

kulso_szabfokok	Array of sites to be kept after the decimation.
ginv	The inverse of the Green operator.
varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'coordinates'	An instance of the structure #coordinates containing the coordinates of the sites.

Returns: [1] The matrix of the decimated inverse Greens operator.; [2] An instance of structure #coordinates containing the sites remained after the decimation.

◆ 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.

◆ Fermi()

function FermiDirac::Fermi ( E )

inherited

A function of the Fermi-Dirac statistics.

Parameters

E	The energy value in eV (scalar or an array of energy values).

Returns: Returns with the occupation number (numbers).

◆ getCoordinates()

function NTerminal::getCoordinates ( )

inherited

Gets the coordinates of the central region.

Returns: [1] Coordinates of the central region.; [2] Coordinates of the interface region.

◆ getEnergy()

function NTerminal::getEnergy ( )

inherited

Retrives the energy value (attribute E) used in the calculations.

Returns: The energy value

◆ getFermiEnergy()

function NTerminal::getFermiEnergy ( )

inherited

Retrives the Fermi level (attribute EF) used in the calculations.

Returns: The Femi level

◆ GetFiniteGreensFunction()

function NTerminal::GetFiniteGreensFunction ( )

inherited

Query fo the calculated Green operator of the scattering center.

Returns: [1] The Green operator.; [2] The inverse Green operator.

◆ getOpt()

function Messages::getOpt ( )

inherited

Retrives the structure containing the calculation parameters.

Returns: Return an instance of structure Opt.

◆ getParam()

function NTerminal::getParam ( )

inherited

Retrives a copy of the structure param used in the current calculations.

Returns: param An instance of structure param.

◆ 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.

◆ getTransverseMomentum()

function NTerminal::getTransverseMomentum ( )

inherited

Retrives the value of the transverse momentum quantum number.

Returns: q The transverse momentum quantum number.

◆ getVersion()

function CommonFunctions::getVersion ( )

inherited

Gets the current version of the package.

Returns: Returns the current version of the package.

◆ InputParsing()

function NTerminal_Keldysh::InputParsing ( varargin )

protected

Parses the optional parameters for the class constructor.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'filenameIn'	The input filename containing the computational parameters. (Use parameters 'Op' and 'param' instead)
'filenameOut'	The output filename to export the computational parameters.
'WorkingDir'	The absolute path to the working directoy.
'CustomHamiltoniansHandle'	function handle for the custom Hamiltonians. Has the same inputs as Custom_Hamiltonians.LoadHamiltonians and output values defined by the example Hamiltonians.
'E'	The energy value used in the calculations (in the same units as the Hamiltonian).
'EF'	The Fermi energy in the same units as the Hamiltonian. Attribute E is measured from this value. (Use for equilibrium calculations in the zero temperature limit. Overrides the one comming from the external source)
'silent'	Set true to suppress output messages.
'leadmodel'	A function handle Lead=f( idx, E, varargin ) of the alternative lead model with equivalent inputs and return values as Transport_Interface.SurfaceGreenFunctionCalculator and with E standing for the energy.
'interfacemodel'	A function handle f( InterfaceRegion ) to manually adjus the interface regions. (Usefull when 'leadmodel' is also given. For example see @InterfaceModel)
'Opt'	An instance of the structure Opt.
'param'	An instance of the structure param.
'q'	The transverse momentum quantum number.
'T'	The absolute temperature in Kelvins.
'mu'	The Chemical potential in the same unit as other energy scales in the Hamiltonians.
'mu_leads'	An array containing the chemical potentials of the leads in the same unit as other energy scales in the Hamiltonians.

◆ 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.

◆ 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.

◆ LesserGreenFunction()

function NTerminal_Keldysh::LesserGreenFunction ( varargin )

Calculates the lesser Green function projected to the surface sites of the central device and the interface regions for eregy given E.

(Surface sites of the central device are directly connected to the interface regions.) The calculated Green function is stored by attributes lesserG and #lesserGinv.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'gfininv'	The inverse of the Greens function of the scattering region. For default the inverse of the attribute G is used.
'constant_channels'	Logical value. Set true (default) to keep constant the number of the open channels in the leads for each energy value, or false otherwise.
'recalculateSurface'	A vector of the identification numbers of the lead surfaces to be recalculated.

Returns: [1] The calculated lesser Greens operator.; [2] An instance of structure junction_sites describing the sites in the calculated Green operator.

◆ 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

◆ setEnergy()

function NTerminal_Keldysh::setEnergy ( Energy )

Sets the energy for the calculations.

Parameters

Energy The value of the energy in the same units as the Hamiltonian.

◆ setHandlesForMagneticField()

function NTerminal::setHandlesForMagneticField ( varargin )

inherited

Sets the function handles of the vector potential and gauge transformation.

Parameters

varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'scatter'	Function handle A = f( x,y) of the vector potential to be used in the scattering region (A is a N x 2 vector, where N is the number of the points given by the x and y coordinates.)
'lead'	Function handle A = f( x,y) of the vector potential to be used in the leads. (A is a N x 2 vector, where N is the number of the points given by the x and y coordinates.)
'gauge_field'	Function handle S = f( x,y) of the gauge transformation. (S is a N x 1 vector, where N is the number of the points given by the x and y coordinates.)

◆ setInterfaceRegions()

function NTerminal::setInterfaceRegions ( Interface_Regions )

inherited

Replaces the attribute Interface_Region with the given value.

Parameters

Interface_Regions A two component array of classes InterfaceRegion

◆ setParam()

function NTerminal::setParam ( param )

inherited

cloning the individual attributes

setting the gauge field Sets the structure param in the attributes.

Parameters

param An instance of structure param.

◆ setTemperature()

function NTerminal_Keldysh::setTemperature ( T )

Sets the temperature in the calculations.

Parameters

T	The value of the temperature in Kelvins.

◆ 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.

◆ Transport()

function NTerminal::Transport	(	Energy	,
		varargin
	)

inherited

Calculates the transport through the two terminal setup.

Use for development pupose only.

Parameters

Energy	The energy value.
varargin	Cell array of optional parameters (https://www.mathworks.com/help/matlab/ref/varargin.html):
'constant_channels'	Logical value. Set true (default) to keep constant the number of the open channels in the leads for each energy value, or false otherwise.
'gfininvfromHamiltonian'	Logical value. Set true calculate the surface Greens function of the scattering region from the Hamiltonaian of the scattering region, or false (default) to calculate it by the fast way (see Phys. Rev. B 90, 125428 (2014) for details).
'decimateDyson'	Logical value. Set true (default) to decimate the sites of the scattering region in the Dyson equation.
'PotInScatter'	Obsolete parameter. Use 'scatterPotential' instead.
'scatterPotential'	A function handle pot=f( #coordinates ) or pot=f( CreateHamiltonians, Energy) for the potential to be applied in the Hamiltonian (used when FiniteGreensFunctionFromHamiltonian=true).
'selfEnergy'	Logical value. Set true to use the self energies of the leads in the Dyson equation, or false (default) to use the surface Green function instead.

Returns: [1] Conductance_matrix The conductance tensor; [2] ny Array of the open channel in the leads.; [3] S The scattering matrix.

◆ 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

◆ beta

Property FermiDirac::beta

protectedinherited

$\beta = 1/(k_BT)$

Definition at line 38 of file FermiDirac.m.

◆ bias_leads

Property NTerminal_Keldysh::bias_leads

protected

An array containing the bias of the leads in the same unit as other energy scales in the Hamiltonians.

Definition at line 45 of file NTerminal_Keldysh.m.

◆ cCustom_Hamiltonians

Property NTerminal::cCustom_Hamiltonians

inherited

An instance of class Custom_Hamiltonians to load the Hamiltonians from external source.

Definition at line 104 of file NTerminal.m.

◆ CreateH

Property NTerminal::CreateH

inherited

An instance of class CreateHamiltonians or its subclass to manipulate the Hamiltonian of the scattering region.

Definition at line 71 of file NTerminal.m.

◆ CustomHamiltoniansHandle

Property NTerminal::CustomHamiltoniansHandle

protectedinherited

Function handle to create custom Hamiltonians. Has the same inputs ans outputs as Custom_Hamiltonians.LoadHamiltonians.

Definition at line 64 of file NTerminal.m.

◆ DeployedMKL

Property CommonFunctions::DeployedMKL

protectedinherited

True if MKL component is built, false otherwise.

Definition at line 32 of file CommonFunctions.m.

◆ E

Property NTerminal::E

protectedinherited

The energy used in the calculations.

Definition at line 55 of file NTerminal.m.

◆ EF

Property NTerminal::EF

protectedinherited

The Fermi energy. Attribute E is measured from this value. (Use for equilibrium calculations in the zero temperature limit.)

Definition at line 58 of file NTerminal.m.

◆ filenameIn

Property NTerminal::filenameIn

inherited

Input filename containing the computational parameters. (Obsolete)

Definition at line 95 of file NTerminal.m.

◆ filenameOut

Property NTerminal::filenameOut

inherited

Output filename to export the computational parameters.

Definition at line 98 of file NTerminal.m.

◆ FL_handles

Property NTerminal::FL_handles

inherited

An instance of class Transport_Interface (or its subclass) for transport calculations.

Definition at line 74 of file NTerminal.m.

◆ G

Property NTerminal::G

protectedinherited

Green operator of the scattering region.

Definition at line 49 of file NTerminal.m.

◆ gauge_field

Property NTerminal::gauge_field

inherited

Function handle S = f( x,y) of the gauge transformation in the scattering center. (S is a N x 1 vector, where N is the number of the points given by the x and y coordinates.)

Definition at line 86 of file NTerminal.m.

◆ Ginv

Property NTerminal::Ginv

protectedinherited

The inverse of the Green operator G.

Definition at line 52 of file NTerminal.m.

◆ Interface_Regions

Property NTerminal::Interface_Regions

inherited

A cell array of classes InterfaceRegion to describe the interface region between the leads and the scattering region.

Definition at line 77 of file NTerminal.m.

◆ interfacemodel

Property NTerminal::interfacemodel

inherited

function handle for individual physical model of the interface regions

Definition at line 92 of file NTerminal.m.

◆ k_B

Property FermiDirac::k_B

protectedinherited

Boltzmann constant in eV/K.

Definition at line 32 of file FermiDirac.m.

◆ leadmodel

Property NTerminal::leadmodel

inherited

function handle for individual physical model of the leads

Definition at line 89 of file NTerminal.m.

◆ lesserG

Property NTerminal_Keldysh::lesserG

protected

Lesser Green operator projected onto the scattering region.

Definition at line 48 of file NTerminal_Keldysh.m.

◆ MaxSize

Property CommonFunctions::MaxSize

protectedinherited

Maximal size of full matrixes to be handled.

Definition at line 44 of file CommonFunctions.m.

◆ mu

Property FermiDirac::mu

protectedinherited

The Chemical potential in the same unit as other energy scales in the Hamiltonians.

Definition at line 44 of file FermiDirac.m.

◆ Opt

Property Messages::Opt

protectedinherited

An instance of structure Opt.

Definition at line 31 of file Messages.m.

◆ param

Property NTerminal::param

protectedinherited

An instance of strucutre param.

Definition at line 46 of file NTerminal.m.

◆ PeierlsTransform_Leads

Property NTerminal::PeierlsTransform_Leads

inherited

An instance of class Peierls object to describe the peirls substitution in the leads.

Definition at line 83 of file NTerminal.m.

◆ PeierlsTransform_Scatter

Property NTerminal::PeierlsTransform_Scatter

inherited

An instance of class Peierls object to describe the peirls substitution in the scattering region.

Definition at line 80 of file NTerminal.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 NTerminal::q

protectedinherited

The transverse momentum quantum number.

Definition at line 61 of file NTerminal.m.

◆ silent

Property NTerminal::silent

inherited

if true, no output messages are print

Definition at line 107 of file NTerminal.m.

◆ T

Property FermiDirac::T

protectedinherited

The temperature in Kelvin.

Definition at line 35 of file FermiDirac.m.

◆ T_treshold

Property FermiDirac::T_treshold

protectedinherited

treshold temperature (makes difference between T=0 and T>0)

Definition at line 41 of file FermiDirac.m.

◆ version

Property CommonFunctions::version

protectedinherited

The current version of the package.

Definition at line 35 of file CommonFunctions.m.

◆ WorkingDir

Property NTerminal::WorkingDir

inherited

A string of the working directory.

Definition at line 101 of file NTerminal.m.

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

NTerminal_Keldysh.m

Public Member Functions

Static Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Detailed Description

Available

Structure described by the class

Constructor & Destructor Documentation

◆ NTerminal_Keldysh()

Member Function Documentation

◆ ApplyPotentialInScatter()

◆ BadInputType()

◆ BadInputTypeNoDefault()

◆ CalcFiniteGreensFunction()

◆ CalcFiniteGreensFunctionFromHamiltonian()

◆ CalcSpectralFunction()

◆ checkMEXfile()

◆ CreateClone()

◆ CreateHandles()

◆ CreateInterface()

◆ CreateNTerminalHamiltonians()

◆ CreateScatter()

◆ CustomDysonFunc()

◆ DecimationFunction()

◆ diagInv()

◆ display()

◆ eig()

◆ ExceedIteration()

◆ Fermi()

◆ getCoordinates()

◆ getEnergy()

◆ getFermiEnergy()

◆ GetFiniteGreensFunction()

◆ getOpt()

◆ getParam()

◆ getProgramName()

◆ getProgramShortName()

◆ getTransverseMomentum()

◆ getVersion()

◆ InputParsing()

◆ inv_SVD()

◆ IsDeployedMKL()

◆ isOctave()

◆ LesserGreenFunction()

◆ partialInv()

◆ setEnergy()

◆ setHandlesForMagneticField()

◆ setInterfaceRegions()

◆ setParam()

◆ setTemperature()

◆ SimphsonInt()

◆ Transport()

◆ xmlread()

◆ xmlwrite()

Member Data Documentation

◆ beta

◆ bias_leads

◆ cCustom_Hamiltonians

◆ CreateH

◆ CustomHamiltoniansHandle

◆ DeployedMKL

◆ E

◆ EF

◆ filenameIn

◆ filenameOut

◆ FL_handles

◆ G

◆ gauge_field

◆ Ginv

◆ Interface_Regions

◆ interfacemodel

◆ k_B

◆ leadmodel

◆ lesserG

◆ MaxSize

◆ mu

◆ Opt

◆ param

◆ PeierlsTransform_Leads