The Experts below are selected from a list of 253050 Experts worldwide ranked by ideXlab platform
J B Bates - One of the best experts on this subject based on the ideXlab platform.
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Lattice Model calculation of the strain energy density and other properties of crystalline licoo2
Journal of Applied Physics, 1998Co-Authors: F X Hart, J B BatesAbstract:The strain energy densities for various crystalline planes of LiCoO2 were calculated from the stiffness tensors obtained from Lattice Model calculations using the program GULP. In addition to Coulomb and Buckingham potentials, it was necessary to include shell Models for the oxygen and cobalt ions in order to obtain acceptable agreement between the observed and calculated structural parameters and high frequency dielectric constant. The strain energy densities u due to differential thermal expansion were calculated using the theoretical stiffness tensors and estimated values for the thermal expansion coefficients of LiCoO2. For a temperature change of 675 °C, these ranged from 0.5 to 1.3×108 erg/cm3 or 5 to 13 J/m2 for 1-μm-thick films on alumina substrates. In particular, the energies for the (003), (101), and (104) planes were ordered as u(003)≫u(104)>u(101). This suggests that the strong (101) preferred orientation of LiCoO2 films (⩾1 μm thick) is due to the tendency to minimize volume strain energy th...
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Lattice Model calculation of the strain energy density and other properties of crystalline licoo2
Journal of Applied Physics, 1998Co-Authors: F X Hart, J B BatesAbstract:The strain energy densities for various crystalline planes of LiCoO2 were calculated from the stiffness tensors obtained from Lattice Model calculations using the program GULP. In addition to Coulomb and Buckingham potentials, it was necessary to include shell Models for the oxygen and cobalt ions in order to obtain acceptable agreement between the observed and calculated structural parameters and high frequency dielectric constant. The strain energy densities u due to differential thermal expansion were calculated using the theoretical stiffness tensors and estimated values for the thermal expansion coefficients of LiCoO2. For a temperature change of 675 °C, these ranged from 0.5 to 1.3×108 erg/cm3 or 5 to 13 J/m2 for 1-μm-thick films on alumina substrates. In particular, the energies for the (003), (101), and (104) planes were ordered as u(003)≫u(104)>u(101). This suggests that the strong (101) preferred orientation of LiCoO2 films (⩾1 μm thick) is due to the tendency to minimize volume strain energy that arises from differential thermal expansion between the film and the substrate. Additional properties obtained from the GULP calculations include the free energy, heat capacity, and the k=0 vibrational modes.
K S D Beach - One of the best experts on this subject based on the ideXlab platform.
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coherence and metamagnetism in the two dimensional kondo Lattice Model
Physical Review B, 2008Co-Authors: K S D Beach, F F AssaadAbstract:We report the results of dynamical mean field calculations for the metallic Kondo Lattice Model subject to an applied magnetic field. High-quality spectral functions reveal that the picture of rigid, hybridized bands, Zeeman-shifted in proportion to the field strength, is qualitatively correct. We find evidence of a zero-temperature magnetization plateau, whose onset coincides with the chemical potential entering the spin up hybridization gap. The plateau appears at the field scale predicted by (static) large-N mean field theory and has a magnetization value consistent with that of x=1-n_c spin-polarized heavy holes, where n_c < 1 is the conduction band filling of the noninteracting system. We argue that the emergence of the plateau at low temperature marks the onset of quasiparticle coherence.
Gert Heinrich - One of the best experts on this subject based on the ideXlab platform.
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magneto sensitive elastomers in a homogeneous magnetic field a regular rectangular Lattice Model
Macromolecular Theory and Simulations, 2011Co-Authors: Dmytro Ivaneyko, Vladimir Toshchevikov, Marina Saphiannikova, Gert HeinrichAbstract:A theory of mechanical behaviour of the magneto-sensitive elastomers is developed in the framework of a linear elasticity approach. Using a regular rectangular Lattice Model, different spatial distributions of magnetic particles within a polymer matrix are considered: isotropic, chain-like and plane-like. It is shown that interaction between the magnetic particles results in the contraction of an elastomer along the homogeneous magnetic field. With increasing magnetic field the shear modulus, G, for the shear deformation perpendicular to the magnetic field increases for all spatial distributions of magnetic particles. At the same time, with increasing magnetic field the Young's modulus, E, for tensile deformation along the magnetic field decreases for both chain-like and isotropic distributions of magnetic particles and increases for the plane-like distribution of magnetic particles.
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magneto sensitive elastomers in a homogeneous magnetic field a regular rectangular Lattice Model
Macromolecular Theory and Simulations, 2011Co-Authors: Dmytro Ivaneyko, Vladimir Toshchevikov, Marina Saphiannikova, Gert HeinrichAbstract:A theory of mechanical behaviour of the magneto-sensitive elastomers is developed in the framework of a linear elasticity approach. Using a regular rectangular Lattice Model, different spatial distributions of magnetic particles within a polymer matrix are considered: isotropic, chain-like and plane-like. It is shown that interaction between the magnetic particles results in the contraction of an elastomer along the homogeneous magnetic field. With increasing magnetic field the shear modulus, G, for the shear deformation perpendicular to the magnetic field increases for all spatial distributions of magnetic particles. At the same time, with increasing magnetic field the Young's modulus, E, for tensile deformation along the magnetic field decreases for both chain-like and isotropic distributions of magnetic particles and increases for the plane-like distribution of magnetic particles.
Yukitoshi Motome - One of the best experts on this subject based on the ideXlab platform.
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application of polynomial expansion monte carlo method to a spin ice kondo Lattice Model
Journal of Physics: Conference Series, 2012Co-Authors: Hiroaki Ishizuka, Masafumi Udagawa, Yukitoshi MotomeAbstract:We present the results of Monte Carlo simulation for a Kondo Lattice Model in which itinerant electrons interact with Ising spins with spin-ice type easy-axis anisotropy on a pyrochlore Lattice. We demonstrate the efficiency of the truncated polynomial expansion algorithm, which enables a large scale simulation, in comparison with a conventional algorithm using the exact diagonalization. Computing the subLattice magnetization, we show the convergence of the data with increasing the number of polynomials and truncation distance.
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magnetic order and charge disproportionation in a spin ice type kondo Lattice Model large scale monte carlo study
Journal of the Physical Society of Japan, 2012Co-Authors: Hiroaki Ishizuka, Masafumi Udagawa, Yukitoshi MotomeAbstract:A phase diagram of a spin-ice type Kondo Lattice Model, potentially relevant to metallic pyrochlore oxides, is obtained by the Monte Carlo simulation implementing the polynomial expansion technique...
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magnetic order and charge disproportionation in a spin ice type kondo Lattice Model large scale monte carlo study
arXiv: Strongly Correlated Electrons, 2012Co-Authors: Hiroaki Ishizuka, Masafumi Udagawa, Yukitoshi MotomeAbstract:Phase diagram of a spin-ice type Kondo Lattice Model, potentially relevant to metallic pyrochlore oxides, is obtained by the Monte Carlo simulation implementing the polynomial expansion technique up to the system size with 2048 sites. We identified a new 32-subLattice magnetic phase with concomitant charge disproportionation, along with other phases such as two-in two-out and all-in/all-out orders. The spin and charge pattern can be switched by external magnetic field to a different one accompanied by a half magnetization plateau.
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spin chirality ordering and anomalous hall effect in the ferromagnetic kondo Lattice Model on a triangular Lattice
Journal of the Physical Society of Japan, 2010Co-Authors: Yutaka Akagi, Yukitoshi MotomeAbstract:We investigate the ground-state phase diagram for the ferromagnetic Kondo Lattice Model on a triangular Lattice by a variational calculation for various spin orderings up to a four-site unit cell. We find that a noncoplanar four-subLattice ordering with a finite scalar spin chirality emerges at and around 1/4 filling, in addition to the 3/4-filled case which was predicted to be induced by the perfect nesting of the Fermi surface. The 1/4-filling phase is stable in a wider range of parameters than the 3/4-filling one, and includes a large region of gapped insulating state characterized by a Chern number. We also compute the Hall conductivity in the chiral-ordered phases.
F X Hart - One of the best experts on this subject based on the ideXlab platform.
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Lattice Model calculation of the strain energy density and other properties of crystalline licoo2
Journal of Applied Physics, 1998Co-Authors: F X Hart, J B BatesAbstract:The strain energy densities for various crystalline planes of LiCoO2 were calculated from the stiffness tensors obtained from Lattice Model calculations using the program GULP. In addition to Coulomb and Buckingham potentials, it was necessary to include shell Models for the oxygen and cobalt ions in order to obtain acceptable agreement between the observed and calculated structural parameters and high frequency dielectric constant. The strain energy densities u due to differential thermal expansion were calculated using the theoretical stiffness tensors and estimated values for the thermal expansion coefficients of LiCoO2. For a temperature change of 675 °C, these ranged from 0.5 to 1.3×108 erg/cm3 or 5 to 13 J/m2 for 1-μm-thick films on alumina substrates. In particular, the energies for the (003), (101), and (104) planes were ordered as u(003)≫u(104)>u(101). This suggests that the strong (101) preferred orientation of LiCoO2 films (⩾1 μm thick) is due to the tendency to minimize volume strain energy th...
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Lattice Model calculation of the strain energy density and other properties of crystalline licoo2
Journal of Applied Physics, 1998Co-Authors: F X Hart, J B BatesAbstract:The strain energy densities for various crystalline planes of LiCoO2 were calculated from the stiffness tensors obtained from Lattice Model calculations using the program GULP. In addition to Coulomb and Buckingham potentials, it was necessary to include shell Models for the oxygen and cobalt ions in order to obtain acceptable agreement between the observed and calculated structural parameters and high frequency dielectric constant. The strain energy densities u due to differential thermal expansion were calculated using the theoretical stiffness tensors and estimated values for the thermal expansion coefficients of LiCoO2. For a temperature change of 675 °C, these ranged from 0.5 to 1.3×108 erg/cm3 or 5 to 13 J/m2 for 1-μm-thick films on alumina substrates. In particular, the energies for the (003), (101), and (104) planes were ordered as u(003)≫u(104)>u(101). This suggests that the strong (101) preferred orientation of LiCoO2 films (⩾1 μm thick) is due to the tendency to minimize volume strain energy that arises from differential thermal expansion between the film and the substrate. Additional properties obtained from the GULP calculations include the free energy, heat capacity, and the k=0 vibrational modes.
