The Experts below are selected from a list of 14649 Experts worldwide ranked by ideXlab platform

Stanislaw Krukowski - One of the best experts on this subject based on the ideXlab platform.

  • structural and electronic properties of aln 0001 surface under partial n coverage as determined by ab initio approach
    Journal of Applied Physics, 2015
    Co-Authors: Pawel Strak, Konrad Sakowski, Pawel Kempisty, Stanislaw Krukowski
    Abstract:

    Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi level is not pinned at the critical value of nitrogen coverage θN(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Npz state. The Equilibrium Thermodynamic Potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorptio...

David Jou - One of the best experts on this subject based on the ideXlab platform.

  • Non-Equilibrium Thermodynamic Potential and flux fluctuation theorem
    Physics Letters A, 2009
    Co-Authors: M. Criado-sancho, José Casas-vázquez, David Jou
    Abstract:

    Abstract A flux fluctuation theorem proposed recently [Seitaridou, et al., J. Phys. Chem. B 111 (2007) 2288] on the relative probability of direct and reverse diffusion fluxes in a non-Equilibrium steady state is related here to a non-Equilibrium Thermodynamic Potential used in extended irreversible Thermodynamics. This connection allows one to provide a new derivation of the theorem, which complements the previous one, to generalize it to other fluxes, and illustrates the Thermodynamic relevance of this theorem.

Pawel Strak - One of the best experts on this subject based on the ideXlab platform.

  • structural and electronic properties of aln 0001 surface under partial n coverage as determined by ab initio approach
    Journal of Applied Physics, 2015
    Co-Authors: Pawel Strak, Konrad Sakowski, Pawel Kempisty, Stanislaw Krukowski
    Abstract:

    Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi level is not pinned at the critical value of nitrogen coverage θN(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Npz state. The Equilibrium Thermodynamic Potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorptio...

M. Criado-sancho - One of the best experts on this subject based on the ideXlab platform.

  • Non-Equilibrium Thermodynamic Potential and flux fluctuation theorem
    Physics Letters A, 2009
    Co-Authors: M. Criado-sancho, José Casas-vázquez, David Jou
    Abstract:

    Abstract A flux fluctuation theorem proposed recently [Seitaridou, et al., J. Phys. Chem. B 111 (2007) 2288] on the relative probability of direct and reverse diffusion fluxes in a non-Equilibrium steady state is related here to a non-Equilibrium Thermodynamic Potential used in extended irreversible Thermodynamics. This connection allows one to provide a new derivation of the theorem, which complements the previous one, to generalize it to other fluxes, and illustrates the Thermodynamic relevance of this theorem.

Yu. I. Sapronov - One of the best experts on this subject based on the ideXlab platform.

  • Cellular Complexes for Thermodynamic Potential of Ferroelectrics
    Ferroelectrics, 2013
    Co-Authors: B. M. Darinskiy, Yu. I. Sapronov
    Abstract:

    The topological method of investigation of regularities at phase transitions in ferroelectric crystals and the nonlinear phenomena, based on representations about cellular complexes of system of special points of non-Equilibrium Thermodynamic Potential have been stated. Full set of possible cellular complexes for crystals of cubic structure, for which Thermodynamic Potential can be presented as polynomial of the sixth degree, is constructed.