material – GENEUS

type, public, abstract :: material

Components

Type	Visibility	Attributes		Name		Initial
real(kind=wp),	public		::	length	=	1.00_wp	Material length (L/ξ)
real(kind=wp),	public		::	thouless	=	1.00_wp	Thouless energy (ħD/L²)
real(kind=wp),	public		::	scattering	=	0.01_wp	Inelastic scattering (η/Δ₀)
logical,	public		::	transparent_a	=	.false.	Interface transparency (left)
logical,	public		::	transparent_b	=	.false.	Interface transparency (right)
logical,	public		::	phaselock	=	.false.	Lock the center-of-mass phase?
logical,	public		::	nonequilibrium	=	.false.	Equilibrium?
logical,	public		::	transverse	=	.false.	Transverse potential gradients?
real(kind=wp),	public		::	voltage	=	0.00_wp	Voltage (eV/Δ₀)
real(kind=wp),	public		::	temperature	=	0.01_wp	Temperature (T/Tc)
real(kind=wp),	public		::	spinvoltage	=	0.00_wp	Spin-voltage (eVs/Δ₀)
real(kind=wp),	public		::	spintemperature	=	0.00_wp	Spin-temperature (Ts/Tc)
real(kind=wp),	public,	dimension(1:3)	::	spinaxis	=	[0, 0, 1]	Spin quantization axis
real(kind=wp),	public,	allocatable	::	energy(:)			Energy domain
real(kind=wp),	public,	allocatable	::	location(:)			Position domain
type(propagator),	public,	allocatable	::	propagator(:,:)			Propagator values
type(propagator),	public,	allocatable	::	backup(:,:)			Propagator backups
real(kind=wp),	public,	allocatable	::	density(:,:,:)			Spin-resolved density of states
real(kind=wp),	public,	allocatable	::	supercurrent(:,:)			Charge, spin, heat, and spin-heat supercurrents
real(kind=wp),	public,	allocatable	::	lossycurrent(:,:)			Charge, spin, heat, and spin-heat dissipative currents
real(kind=wp),	public,	allocatable	::	accumulation(:,:)			Charge, spin, heat, and spin-heat accumulation
real(kind=wp),	public,	allocatable	::	magnetization(:,:)			Magnetization due to exchange and Zeeman effects
complex(kind=wp),	public,	allocatable	::	correlation(:)			Superconducting pair-correlations
integer,	public		::	order	=	1	Simulation priority of this material
class(material),	public,	pointer	::	material_a	=>	null()	Material to the left (default: vacuum)
class(material),	public,	pointer	::	material_b	=>	null()	Material to the right (default: vacuum)
integer,	public		::	iteration	=	0	Used to keep track of selfconsistent iteration cycles
logical,	public		::	selfconsistent	=	.true.	Whether to selfconsistently calculate the superconducting gap
logical,	public		::	boost	=	.true.	Whether to use convergence acceleration methods
integer,	public		::	scaling	=	128	Maximal mesh increase (range: 2^N, N>1)
integer,	public		::	method	=	4	Runge—Kutta order (range: 2, 4, 6)
integer,	public		::	control	=	2	Error control (1: defect, 2: global error, 3: 1 then 2, 4: 1 and 2)
real(kind=wp),	public		::	tolerance	=	1e-10_wp	Error tolerance (maximum defect or global error)
integer,	public		::	information	=	0	Debug information (range: [-1,2])
real(kind=wp),	public		::	difference	=	1e+10_wp	Difference between iterations
character(len=128),	public		::	type_string	=	'MATERIAL'	Name of this material

Type-Bound Procedures

procedure(manipulate), public, deferred :: construct

Construct object

subroutine manipulate(this) Prototype

This interface is used for the deferred procedures construct, update_prehook, and update_posthook.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

procedure(initialize), public, deferred :: initialize

Initialize object

subroutine initialize(this) Prototype

This interface is used for the deferred procedure initialize.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

procedure(manipulate), public, deferred :: update_prehook

Executed before update

subroutine manipulate(this) Prototype

This interface is used for the deferred procedures construct, update_prehook, and update_posthook.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

procedure(manipulate), public, deferred :: update_posthook

Executed after update

subroutine manipulate(this) Prototype

This interface is used for the deferred procedures construct, update_prehook, and update_posthook.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

procedure, public :: update => material_update

Calculate propagators

private subroutine material_update(this, bootstrap)

This subroutine updates the state of the material by solving the diffusion equations for the equilibrium propagators, the kinetic equations for the nonequilibrium propagators, and then calculating physical observables.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this	Material that will be updated
logical,	intent(in),	optional		::	bootstrap	Disable calculation of observables

procedure, public :: update_diffusion => diffusion_update

Calculate propagators (in equilibrium)

interface

private module subroutine diffusion_update(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout),		target	::	this

procedure, public :: update_kinetic => kinetic_update

Calculate propagators (nonequilibrium)

interface

private module subroutine kinetic_update(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout),		target	::	this

procedure(diffusion_equation), public, deferred :: diffusion_equation

Diffusion equation

pure subroutine diffusion_equation(this, p, e, z) Prototype

This interface is used for the deferred procedure diffusion_equation.

Arguments

Type	Intent		Name
class(material),	intent(in)	::	this
type(propagator),	intent(inout)	::	p
complex(kind=wp),	intent(in)	::	e
real(kind=wp),	intent(in)	::	z

procedure(diffusion_equation_a), public, deferred :: diffusion_equation_a

Boundary condition (left)

pure subroutine diffusion_equation_a(this, p, a, r, rt) Prototype

This interface is used for the deferred procedure diffusion_equation_a.

Arguments

Type	Intent		Name
class(material),	intent(in)	::	this
type(propagator),	intent(in)	::	p
type(propagator),	intent(in)	::	a
type(spin),	intent(inout)	::	r
type(spin),	intent(inout)	::	rt

procedure(diffusion_equation_b), public, deferred :: diffusion_equation_b

Boundary condition (right)

pure subroutine diffusion_equation_b(this, p, b, r, rt) Prototype

This interface is used for the deferred procedure diffusion_equation_b.

Arguments

Type	Intent		Name
class(material),	intent(in)	::	this
type(propagator),	intent(in)	::	p
type(propagator),	intent(in)	::	b
type(spin),	intent(inout)	::	r
type(spin),	intent(inout)	::	rt

procedure(kinetic_equation), public, deferred :: kinetic_equation

Kinetic equation

pure subroutine kinetic_equation(this, Gp, R, z) Prototype

This interface is used for the deferred procedure kinetic_equation.

Arguments

Type	Intent	Attributes		Name
class(material),	intent(in)		::	this
type(propagator),	intent(in)		::	Gp
complex(kind=wp),	intent(inout),	dimension(0:7,0:7)	::	R
real(kind=wp),	intent(in)		::	z

procedure(kinetic_equation_a), public, deferred :: kinetic_equation_a

Boundary condition (left)

pure subroutine kinetic_equation_a(this, Gp, Ga, Cp, Ca) Prototype

This interface is used for the deferred procedure kinetic_equation_a.

Arguments

Type	Intent	Attributes		Name
class(material),	intent(in)		::	this
type(propagator),	intent(in)		::	Gp
type(propagator),	intent(in)		::	Ga
complex(kind=wp),	intent(out),	dimension(0:7,0:7)	::	Cp
complex(kind=wp),	intent(out),	dimension(0:7,0:7)	::	Ca

procedure(kinetic_equation_b), public, deferred :: kinetic_equation_b

Boundary condition (right)

pure subroutine kinetic_equation_b(this, Gp, Gb, Cp, Cb) Prototype

This interface is used for the deferred procedure kinetic_equation_b.

Arguments

Type	Intent	Attributes		Name
class(material),	intent(in)		::	this
type(propagator),	intent(in)		::	Gp
type(propagator),	intent(in)		::	Gb
complex(kind=wp),	intent(out),	dimension(0:7,0:7)	::	Cp
complex(kind=wp),	intent(out),	dimension(0:7,0:7)	::	Cb

procedure, public :: conf => material_conf

Configures material parameters

public subroutine material_conf(this, key, val)

Configure a material property based on a key-value pair.

Arguments

Type	Intent		Name
class(material),	intent(inout)	::	this
character(len=*),	intent(in)	::	key
character(len=*),	intent(in)	::	val

procedure, public :: save => material_save

Saves the state of the material

private subroutine material_save(this)

Save a backup of the current material state.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

procedure, public :: load => material_load

Loads the state of the material

public subroutine material_load(this)

Load a backup of a previous material state.

Arguments

Type	Intent	Optional	Attributes		Name
class(material),	intent(inout)			::	this

material Derived Type

Contents

Variables

Type-Bound Procedures

type, public, abstract :: material

Components

Type-Bound Procedures

procedure(manipulate), public, deferred :: construct

subroutine manipulate(this) Prototype

Arguments

procedure(initialize), public, deferred :: initialize

subroutine initialize(this) Prototype

Arguments

procedure(manipulate), public, deferred :: update_prehook

subroutine manipulate(this) Prototype

Arguments

procedure(manipulate), public, deferred :: update_posthook

subroutine manipulate(this) Prototype

Arguments

procedure, public :: update => material_update

private subroutine material_update(this, bootstrap)

Arguments

procedure, public :: update_diffusion => diffusion_update

interface

private module subroutine diffusion_update(this)

Arguments

procedure, public :: update_kinetic => kinetic_update

interface

private module subroutine kinetic_update(this)

Arguments

procedure(diffusion_equation), public, deferred :: diffusion_equation

pure subroutine diffusion_equation(this, p, e, z) Prototype

Arguments

procedure(diffusion_equation_a), public, deferred :: diffusion_equation_a

pure subroutine diffusion_equation_a(this, p, a, r, rt) Prototype

Arguments

procedure(diffusion_equation_b), public, deferred :: diffusion_equation_b

pure subroutine diffusion_equation_b(this, p, b, r, rt) Prototype

Arguments

procedure(kinetic_equation), public, deferred :: kinetic_equation

pure subroutine kinetic_equation(this, Gp, R, z) Prototype

Arguments

procedure(kinetic_equation_a), public, deferred :: kinetic_equation_a

pure subroutine kinetic_equation_a(this, Gp, Ga, Cp, Ca) Prototype

Arguments

procedure(kinetic_equation_b), public, deferred :: kinetic_equation_b

pure subroutine kinetic_equation_b(this, Gp, Gb, Cp, Cb) Prototype

Arguments

procedure, public :: conf => material_conf

public subroutine material_conf(this, key, val)

Arguments

procedure, public :: save => material_save

private subroutine material_save(this)

Arguments

procedure, public :: load => material_load

public subroutine material_load(this)

Arguments