POD class containing the information about a binary superlattice. More...

Collaboration diagram for alma::Superlattice_structure:

Public Member Functions
	Superlattice_structure (const Crystal_structure &struct1, const Crystal_structure &struct2, const Eigen::Ref< const Eigen::Vector3i > &_normal, const Eigen::Ref< const Eigen::ArrayXd > &_profile)
	Basic constructor. More...

Eigen::ArrayXXd	calc_w0_medium (const alma::Gamma_grid &grid, const boost::mpi::communicator &comm, double scalebroad=1.0) const
	Compute the contribution to scattering from disorder in the effective medium. More...

Eigen::ArrayXXd	calc_w0_barriers (const alma::Gamma_grid &grid, const Dynamical_matrix_builder &factory, randutils::mt19937_rng &rng, const boost::mpi::communicator &comm, std::size_t nqline) const
	Compute the contribution to scattering from the supercell barriers. More...

Public Attributes
const Eigen::Vector3i	normal
	Direction normal to the superlattice layers in the crystal structure. More...

const Eigen::ArrayXd	profile
	Fraction of the second component in each layer.

const std::size_t	nlayers
	Number of layers.

const double	average
	Average fraction of the second component in the superlattice. More...

const std::unique_ptr< Crystal_structure >	vc_struct
	Structural description of the average virtual crystal.

Detailed Description

POD class containing the information about a binary superlattice.

Constructor & Destructor Documentation

alma::Superlattice_structure::Superlattice_structure	(	const Crystal_structure &	struct1,
		const Crystal_structure &	struct2,
		const Eigen::Ref< const Eigen::Vector3i > &	_normal,
		const Eigen::Ref< const Eigen::ArrayXd > &	_profile
	)

inline

Basic constructor.

Parameters

[in]	struct1	- structural description of the first component of the superlattice
[in]	struct2	- structural description of the second component of the superlattice
[in]	_normal	- direction normal to the superlattice layers in the crystal structure
[in]	_profile	- fraction of the second component in each layer

Eigen::ArrayXXd alma::Superlattice_structure::calc_w0_barriers	(	const alma::Gamma_grid &	grid,
		const Dynamical_matrix_builder &	factory,
		randutils::mt19937_rng &	rng,
		const boost::mpi::communicator &	comm,
		std::size_t	nqline
	)		const

Compute the contribution to scattering from the supercell barriers.

Parameters

[in]	grid	- a regular grid containing Gamma
[in]	factory	- object able to build D(q)
[in]	rng	- random number generator to use
[in]	communicator	- MPI communicator to use
[in]	nqline	- number of q points in the 1D Brillouin zone used to build the Green's function.

Eigen::ArrayXXd alma::Superlattice_structure::calc_w0_medium	(	const alma::Gamma_grid &	grid,
		const boost::mpi::communicator &	comm,
		double	scalebroad = `1.0`
	)		const

Compute the contribution to scattering from disorder in the effective medium.

Parameters

[in]	grid	- a regular grid containing Gamma
[in]	communicator	- MPI communicator to use
[in]	scalebroad	- factor modulating all the broadenings

const double alma::Superlattice_structure::average

Average fraction of the second component in the superlattice.

const Eigen::Vector3i alma::Superlattice_structure::normal

Direction normal to the superlattice layers in the crystal structure.

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