SemiconductorPhase.cpp

#include "cantera/thermo/SemiconductorPhase.h"

using namespace std;

namespace Cantera
{

const doublereal JD_const1 = 1.0/sqrt(8.0);
const doublereal JD_const2 = 3.0/16.0 - sqrt(3.0)/9.0;

static doublereal JoyceDixon(doublereal r)
{
    return log(r) + JD_const1*r - JD_const2*r*r;
}


SemiconductorPhase::SemiconductorPhase(std::string infile,
                                       std::string id) {}


//    doublereal SemiconductorPhase::ionizedDonorConcentration() {
//    return 1.0/(1.0 + 2.0*exp( fermiLevel() - m_edonor));
//}

//doublereal SemiconductorPhase::ionizedAcceptorConcentration() {
//    return 1.0/(1.0 + 2.0*exp( m_eacceptor - fermiLevel()));
//}

//doublereal SemiconductorPhase::_dn(doublereal efermi) {
//    m_fermi_level = efermi;
//    return electronConcentration() - holeConcentration() +
//        ionizedAcceptorConcentration() - ionizedDonorConcentration();
//}
void SemiconductorPhase::getChemPotentials(doublereal* mu) const
{
    getActivityConcentrations(DATA_PTR(m_work));
    doublereal r = m_work[0]/nc();
    mu[0] = ec() + GasConstant*temperature()*(JoyceDixon(r));
    mu[1] = ev() + GasConstant*temperature()*(log(m_work[1]/nv()));
}

// units: kmol/m^3
doublereal SemiconductorPhase::nc() const
{
    doublereal fctr = effectiveMass_e() * Boltzmann * temperature()/
                      (2.0*Pi*Planck_bar*Planck_bar);
    return 2.0*pow(fctr, 1.5)/Avogadro;
}

doublereal SemiconductorPhase::nv() const
{
    doublereal fctr = effectiveMass_h() * Boltzmann * temperature()/
                      (2.0*Pi*Planck_bar*Planck_bar);
    return 2.0*pow(fctr, 1.5)/Avogadro;
}

doublereal SemiconductorPhase::ev() const
{
    return 0.0;
}

/**
 * Energy at the top of the conduction band. By default, energies
 * are referenced to this energy, and so this function simply
 * returns zero.
 */
doublereal SemiconductorPhase::ec() const
{
    return ev() + bandgap();
}


// private
void SemiconductorPhase::initLengths()
{
    m_work.resize(nSpecies());
}
}