Band structure analysis of the conduction-band mass anisotropy in 6H and 4H SiC

The band structures of 6H and 4H SiC calculated by means of the FP-LMTO method are used to determine the effective mass tensors for their conduction-band minima. The results are shown to be consistent with recent optically detected cyclotron resonance measurements and predict an unusual band filling dependence for 6H-SiC.Comment: 5 pages including 4 postscript figures incorporated with epsfig figs. available as part 2: sicfig.uu self-extracting file to appear in Phys. Rev. B: Aug. 15 (Rapid Communications

Second harmonic generation in SiC polytypes

LMTO calculations are presented for the frequency dependent second harmonic generation (SHG) in the polytypes 2H, 4H, 6H, 15R and 3C of SiC. All independent tensor components are calculated. The spectral features and the ratios of the 333 to 311 tensorial components are studied as a function of the degree of hexagonality. The relationship to the linear optical response and the underlying band structure are investigated. SHG is suggested to be a sensitive tool for investigating the near band edge interband excitations.Comment: 12 pages, 10 figure

The Casimir force on a surface with shallow nanoscale corrugations: Geometry and finite conductivity effects

We measure the Casimir force between a gold sphere and a silicon plate with nanoscale, rectangular corrugations with depth comparable to the separation between the surfaces. In the proximity force approximation (PFA), both the top and bottom surfaces of the corrugations contribute to the force, leading to a distance dependence that is distinct from a flat surface. The measured Casimir force is found to deviate from the PFA by up to 15%, in good agreement with calculations based on scattering theory that includes both geometry effects and the optical properties of the material

Lateral Casimir-Polder force with corrugated surfaces

We derive the lateral Casimir-Polder force on a ground state atom on top of a corrugated surface, up to first order in the corrugation amplitude. Our calculation is based on the scattering approach, which takes into account nonspecular reflections and polarization mixing for electromagnetic quantum fluctuations impinging on real materials. We compare our first order exact result with two commonly used approximation methods. We show that the proximity force approximation (large corrugation wavelengths) overestimates the lateral force, while the pairwise summation approach underestimates it due to the non-additivity of dispersion forces. We argue that a frequency shift measurement for the dipolar lateral oscillations of cold atoms could provide a striking demonstration of nontrivial geometrical effects on the quantum vacuum.Comment: 12 pages, 6 figures, contribution to QFEXT07 proceeding

Ferromagnetic redshift of the optical gap in GdN

We report measurements of the optical gap in a GdN film at temperatures from 300 to 6K, covering both the paramagnetic and ferromagnetic phases. The gap is 1.31eV in the paramagnetic phase and red-shifts to 0.9eV in the spin-split bands below the Curie temperature. The paramagnetic gap is larger than was suggested by very early experiments, and has permitted us to refine a (LSDA+U)-computed band structure. The band structure was computed in the full translation symmetry of the ferromagnetic ground state, assigning the paramagnetic-state gap as the average of the majority- and minority-spin gaps in the ferromagnetic state. That procedure has been further tested by a band structure in a 32-atom supercell with randomly-oriented spins. After fitting only the paramagnetic gap the refined band structure then reproduces our measured gaps in both phases by direct transitions at the X point.Comment: 5 pages, 4 figure

Quantum Effects in the Presence of Expanding Semi-Transparent Spherical Mirrors

We study quantum effects in the presence of a spherical semi-transparent mirror or a system of two concentric mirrors which expand with a constant acceleration in a flat D-dimensional spacetime. Using the Euclidean approach, we obtain expressions for fluctuations and the renormalized value of stress-energy tensor for a scalar non-minimally coupled massless field. Explicit expressions are obtained for the energy fluxes at the null infinity generated by such mirrors in the physical spacetime and their properties are discussed.Comment: 28 pages, Paper is slightly reorganized, additional references are adde

Temperature dependence of the electronic structure of semiconductors and insulators

The renormalization of electronic eigenenergies due to electron-phonon coupling is sizable in many materials with light atoms. This effect, often neglected in ab-initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the numerous recent progresses in this field, and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a q-point sampling inside the BZ. For q-points close to G, we show that a divergence due to non-zero Born effective charge appears in the electron-phonon matrix elements, leading to a divergence of the integral over the BZ for band extrema. Although it should vanish for non-polar materials, unphysical residual Born effective charges are usually present in ab-initio calculations. Here, we propose a solution that improves the coupled q-point convergence dramatically. For polar materials, the problem is more severe: the divergence of the integral does not disappear in the adiabatic harmonic approximation, but only in the non-adiabatic harmonic approximation. In all cases, we study in detail the convergence behavior of the renormalization as the q-point sampling goes to infinity and the imaginary broadening parameter goes to zero. This allows extrapolation, thus enabling a systematic way to converge the renormalization for both polar and non-polar materials. Finally, the adiabatic and non-adiabatic theory, with corrections for the divergence problem, are applied to the study of five semiconductors and insulators: a-AlN, b-AlN, BN, diamond and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening and the renormalized electronic bandstructure.Comment: 27 pages and 26 figure

Different origin of the ferromagnetic order in (Ga,Mn)As and (Ga,Mn)N

The mechanism for the ferromagnetic order of (Ga,Mn)As and (Ga,Mn)N is extensively studied over a vast range of Mn concentrations. We calculate the electronic structures of these materials using density functional theory in both the local spin density approximation and the LDA+U scheme, that we have now implemented in the code SIESTA. For (Ga,Mn)As, the LDA+U approach leads to a hole mediated picture of the ferromagnetism, with an exchange constant $N\beta$ =~ -2.8 eV. This is smaller than that obtained with LSDA, which overestimates the exchange coupling between Mn ions and the As $p$ holes. In contrast, the ferromagnetism in wurtzite (Ga,Mn)N is caused by the double-exchange mechanism, since a hole of strong $d$ character is found at the Fermi level in both the LSDA and the LDA+U approaches. In this case the coupling between the Mn ions decays rapidly with the Mn-Mn separation. This suggests a two phases picture of the ferromagnetic order in (Ga,Mn)N, with a robust ferromagnetic phase at large Mn concentration coexisting with a diluted weak ferromagnetic phase.Comment: 12 pages, 11 figure

Casimir energy and geometry : beyond the Proximity Force Approximation

We review the relation between Casimir effect and geometry, emphasizing deviations from the commonly used Proximity Force Approximation (PFA). We use to this aim the scattering formalism which is nowadays the best tool available for accurate and reliable theory-experiment comparisons. We first recall the main lines of this formalism when the mirrors can be considered to obey specular reflection. We then discuss the more general case where non planar mirrors give rise to non-specular reflection with wavevectors and field polarisations mixed. The general formalism has already been fruitfully used for evaluating the effect of roughness on the Casimir force as well as the lateral Casimir force or Casimir torque appearing between corrugated surfaces. In this short review, we focus our attention on the case of the lateral force which should make possible in the future an experimental demonstration of the nontrivial (i.e. beyond PFA) interplay of geometry and Casimir effect.Comment: corrected typos, added references, QFEXT'07 special issue in J. Phys.

Thermal and dissipative effects in Casimir physics

We report on current efforts to detect the thermal and dissipative contributions to the Casimir force. For the thermal component, two experiments are in progress at Dartmouth and at the Institute Laue Langevin in Grenoble. The first experiment will seek to detect the Casimir force at the largest explorable distance using a cylinder-plane geometry which offers various advantages with respect to both sphere-plane and parallel-plane geometries. In the second experiment, the Casimir force in the parallel-plane configuration is measured with a dedicated torsional balance, up to 10 micrometers. Parallelism of large surfaces, critical in this configuration, is maintained through the use of inclinometer technology already implemented at Grenoble for the study of gravitationally bound states of ultracold neutrons, For the dissipative component of the Casimir force, we discuss detection techniques based upon the use of hyperfine spectroscopy of ultracold atoms and Rydberg atoms. Although quite challenging, this triad of experimental efforts, if successful, will give us a better knowledge of the interplay between quantum and thermal fluctuations of the electromagnetic field and of the nature of dissipation induced by the motion of objects in a quantum vacuum.Comment: Contribution to QFEXT'06, appeared in special issue of Journal of Physics