Search results for "GaP"
showing 10 items of 1144 documents
LCAO calculation of neutral defects in GaN
2005
Four well known HF, LDA, GGA and B3LYP Hamiltonians in LCAO approximation have been used in band structure calculations to obtain the main properties of the perfect GaN crystal with hexagonal lattice (C space group). Calculated lattice parameters, elastic constants and the band gap have been compared with the experimental data and the results of other calculations. As a consequence, the GGA Hamiltonian has been chosen, giving the lattice parameters a = 3.20 A, c = 5.20 A, u = 0.377, the bulk modulus B = 206 GPa and the energy gap Eg = 2.7 eV. These results reasonably reproduce the experimental data. For the point defects calculation (VGa, VN, MgGa, ZnGa, CN, and SiN) the supercell model was…
Photoluminescence from strained InAs monolayers in GaAs under pressure
1994
bulk GaAs. At pressures above the band crossover two emission bands are observed. These bands, characterized by having negative pressure coefBcients, are attributed to the type-I transition between conduction-band X „and heavy-hole states of the InAs monolayer and the type-II transition &om X states in GaAs to InAs heavy-hole states. The results are interpreted in terms of tight-binding band-structure calculations for the strained InAs-monolayer — bulk-GaAs system. I. INTRODUCTION Highly strained InAs jGaAs heterostructures have recently attracted interest due to their unusual electronic and optical properties. ~ 4 Epitaxial isomorphic growth of InAs on GaAs can be achieved only up to a sma…
New Materials with High Spin Polarization Investigated by X-Ray Magnetic Circular Dichroism
2013
We investigate element-specific spin and orbital magnetic moments of polycrystalline bulk Heusler alloys that are predicted to be half-metallic with composition Co2YZ (Y = Ti, Cr, Mn, Fe and Z = Al, Ga, Si, Ge, Sn, Sb) using magnetic circular dichroism in X-ray absorption spectroscopy (XAS/XMCD). In addition to stoichiometric compounds we also investigate composition series with partly replaced elements on the Y-site (Co2Fe x Cr1−x Si, Co2Mn x Ti1−x Si and Co2Mn x Ti1−x Ge) and on the Z-site (Co2MnGa1−x Ge x ) promising a tailoring of the Fermi level with respect to the minority band gap. We compare experimental results with theoretical predictions elucidating the influence of local disorde…
Ab Initio Thermodynamics of Oxygen Vacancies and Zinc Interstitials in ZnO.
2015
ZnO is an important wide band gap semiconductor with potential application in various optoelectronic devices. In the current contribution, we explore the thermodynamics of oxygen vacancies and zinc interstitials in ZnO from first-principles phonon calculations. Formation enthalpies are evaluated using hybrid DFT calculations, and phonons are addressed using the PBE and the PBE+U functionals. The phonon contribution to the entropy is most dominant for oxygen vacancies, and their Gibbs formation energy increases when including phonons. Finally, inclusion of phonons decreases the Gibbs formation energy difference of the two defects and is therefore important when predicting their equilibrium c…
The electron gas with short coherence length pairs: how to approach the stronger coupling limit?
2001
Abstract The attractive Hubbard model is investigated in 2D using a T -matrix approach. In a self-consistent calculation pairs as infinite lifetime Bosons only exist in the atomic limit and therefore a Fermi surface can be investigated also in the stronger coupling regime. A heavy quasiparticle peak with a weak dispersion crosses the Fermi surface at k F whereas light, single particle excitations do only exist far away from the Fermi surface. At low temperatures there seem to exist different self-consistent solutions. In one of them a pseudogap opens even in the integrated density of states. In the present work accurate k -dependent and k -integrated spectral quantities for a 2D finite latt…
Asymmetric Tunneling Conductance and the non-Fermi Liquid Behavior of Strongly Correlated Fermi Systems
2018
Tunneling differential conductivity (or resistivity) is a sensitive tool to experimentally test the nonFermi liquid behavior of strongly correlated Fermi systems. In the case of common metals the Landau– Fermi liquid theory demonstrates that the differential conductivity is a symmetric function of bias voltage V . This is because the particle-hole symmetry is conserved in the Landau–Fermi liquid state. When a strongly correlated Fermi system turns out to be near the topological fermion condensation quantum phase transition, its Landau–Fermi liquid properties disappear so that the particle-hole symmetry breaks making the differential tunneling conductivity to be asymmetric function of V . Th…
Momentum-dependent pseudogaps in the half-filled two-dimensional Hubbard model
2012
We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T*, determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antiferromagnetic fluctuations become dominant. Our results identify a regime where pseudogap physics is …
Quantum critical point in high-temperature superconductors
2009
Recently, in high-T_c superconductors (HTSC), exciting measurements have been performed revealing their physics in superconducting and pseudogap states and in normal one induced by the application of magnetic field, when the transition from non-Fermi liquid to Landau Fermi liquid behavior occurs. We employ a theory, based on fermion condensation quantum phase transition which is able to explain facts obtained in the measurements. We also show, that in spite of very different microscopic nature of HTSC, heavy-fermion metals and 2D 3He, the physical properties of these three classes of substances are similar to each other.
Variation of the optical absorption edge in AgGaS2 single crystals at high pressure
2003
In this paper the optical absorption edge of AgGaS 2 is measured as a function of pressure up to 26 GPa in order to verify the effect of the three phases transitions occurring in that pressure domain. The direct energy gap increases linearly with pressure at the rate of about 4.0 x 10 -2 eV GPa -1 up to 10.2 GPa. The absence of any discontinuity in the energy gap in the pressure range of 4.2-10.2 GPa confirms that the volume change, in the chalcopirite to monoclinic second-order transition, if it exists, is very small. When the pressure is raised above 10.2 GPa, the energy gap drops suddenly by about 1.1 eV and the spectral form of the absorption coefficient is typical of semiconductors wit…
Specific features of the electronic structure of III–VI layered semiconductors: recent results on structural and optical measurements under pressure …
2003
In this paper we review some recent results on the electronic structure of III-VI layered semiconductors and its dependence under pressure, stressing the specific features that differentiate their behaviour from that of tetrahedrally coordinated semiconductors. We will focus on several unexpected results that have led to changes in the image that was currently accepted a few years ago. Intralayer bond angles change under pressure and the layer thickness remains virtually constant or increases. As a consequence, models based in intra- and inter-layer deformation potentials fail in explaining the low pressure nonlinearity of the band gap. Numerical-atomic-orbital/density-functional-theory ele…