Phenomenological thermodynamics of mixed valence phenomenon

The fluctuation of valence in some rare-earth (RE) compounds is described in terms of the effective potential seen by the RE ion. The nearly degenerate $\text{4?}{}^{\mathrm{n+1}}\text{(5d6s)}{}^2$ and $\text{4?}{}^{\mathrm{n}}\text{(5d6s)}{}^3$ levels of the RE ion split in energy in the presence of a repulsive potential. The energy separation (ΔE) between these levels is a function of external variables such as temperature, pressure or composition, which change the effective potential seen by the ion. The variation of ΔE with temperature is obtained for four Europium compounds from ¹⁵¹Eu Mössbauer isomer shift data. The temperature dependence of susceptibility is then obtained from the same (ΔE) variation and compared with experimental results. A characteristic temperature (T_υ) is found below and above which (ΔE) behave as ΔE = αT and ΔE = βT+γ respectively.     

Local density valence band offset in GaAs/AlAs: Role of interface dipole

The valence band offset, ΔE_V ,at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self- consistent all-electron local density band structure calculations of the (GaAs)_n(AlAs)_n(001) superlattices (with n ⩽ 3). Using the core levels as reference energies, we find that ΔE_V = 0.50 ± 0.05 eV, in very good agreement with recent experimental results (ΔE_V = 0.45 − 0.55 eV). The dependence of ΔE_V on the superlattice thickness is studied and related to the interface charge redistribution which produces an interface dipole potential estimated to be ∼ 0.14 eV.     

Coulomb energies and nuclear radii in the energy density formalism

The relation between Coulomb displacement energies,ΔE _c , andΔr=r _n -r _p , the difference between the rms radii of neutrons and protons in nuclei, is investigated within the energy density formalism (EDF). The variational equation, obtained by minimizing the Coulomb plus symmetry energies, is solved assuming the symmetry interaction is a simple functional of the local nuclear matter density. Varying parameters of the model, rather unique relation betweenΔE _c andΔr is obtained (within ±50 keV).ΔE _c isindependent ofr _ex, the rms radius of the excess neutrons distribution. Using the experimental values ofr _p and adjusting the model to reproduce the recent data onΔr (Δr∽~0.05 fm for⁴⁸Ca and²⁰⁸Pb), which are significantly smaller than those obtained from current Hartree-Fock calculations, the calculatedΔE _c agree with the experimental results. Using the value ofΔr～0.05 fm and the experimental values ofr _ex, a small compression (<0.02 fm) of the proton core in the analogue state relative to its parent state emerges, thus contributing an additional electrostatic term to the Coulomb displacement energy. The size of this relative core-compression effect depends on the values assumed forΔr andr _ex, it increases with the decreasing ofΔr and the increasing ofr _ex. IfΔr～0.05 fm the effect is large enough to remove the long standing Coulomb energy anomaly. The main result of the present work is the correlation betweenΔE _c andΔr, suggesting that the difficulties of current Hartree-Fock calculations in reproducing isotope shifts ofr _p , the small value ofr _n ?r _p and the values ofΔE _c may all be different manifestations of some missing residualp n effective interaction.     

k-linear coupling and the E′1 transitions in GaAs

The k-linear intravalence and intraconduction band coupling terms along the 〈111〉 directions are shown to explain the anomalously large strength of the E′₁ structure relative to E′₁ + Δ′₁ and also the large energy separation between them. Quantitative agreement between theory and experiment is obtained using intraband coupling values calculated from k · p perturbation theory.     

Calculation of chemisorption energies of oxygen on narrow-gap semiconductors

Newns' self-consistent model for hydrogen chemisorption on transition metals is extended to calculate the chemisorption energy ΔE of oxygen on Si, Ge and III–V compounds. ΔE is found to depend on the widths of the energy gap and valence band, the crystal work function and the crystal plane, |ΔE₍₁₀₀₎|>|ΔE₍₁₁₁₎|. In general, larger ΔE's are associated with wider energy gaps.     

Conversion electron Mössbauer study of amorphous FeSi thin films

Amorphous FeSi films deposited at 77 K and at room temperature were studied by CEMS. The CEMS reflection spectra for bulk FeSi show quadrupole splittings, ΔE_S, larger by ～ 0.04 mm sec^?1 than ΔE_B - the ones shown by transmission spectra.For amorphous FeSi films ΔE was found (a) to decrease with the thickness of the film, and (b) to be by 25% larger for an amorphous film than for a crystallized one (of the same thickness).The crystallization was found to start at 240°C for a 300 Å thick film.     

Trajectory interpretation of the uncertainty principle in 1D systems using complex Bohmian mechanics

Complex Bohmian mechanics is introduced to investigate the validity of a trajectory interpretation of the uncertainty principles ΔqΔp??/2 and ΔEΔt??/2 by replacing probability mean values with time-averaged mean values. It is found that the ?/2 factor in the uncertainty relation ΔEΔt??/2 stems from a quantum potential whose time-averaged mean value taken along any closed trajectory with a period T=2π/ω is proved to be an integer multiple of ?ω/2 for one-dimensional systems.     

Effect of conduction band nonprabolicity on the Rashba spin splitting of AlGaN/GaN QWs

By using the perturbation expansion method and self-consistent iterative method, we evaluate the effect of the conduction band nonprabolicity on the wave vector (k_t) dependent Rashba coefficient (α) and nonlinear Rashba spin splitting (ΔE) in the Al_0.5Ga_0.5N/GaN quantum well (QW). The effective mass (energy) under the first order approximation m_t1 (E_k1) is in proximity to the iterative result m_tp (E_kp) and m_t1>m_tp, E_k1<E_kp, showing the higher order contributions to m_t (E_k) are small. The sign of the nonparabolic correction to E_k is just opposite to that of the correction to m_t. The increase of α and ΔE due to the conduction band nonparabolicity reaches about 3% at k_t=1 nm⁻¹. Around the left heterointerface, the probability density is high and E_k0>E_kp>E_k1, so α₀<α_p<α₁, ΔE₀<ΔE_p<ΔE₁. With increasing k_t, α decreases, and ΔE increases slowly. For small k_t, α₀ (ΔE₀), α₁ (ΔE₁) and α_p (ΔE_p) are nearly the same. While for large k_t, the difference between α₀ and α₁ (α_p) increases rapidly, but the difference between ΔE₀ and ΔE₁ (ΔE_p) increases slowly.     

Auflösungsgrenze des elektrostatischen Energie-Analysators und hochauflösende Elektronen-Spektrometrie

Using an electrostatic analyzer-lens as a monochromator the energy-widthΔE of the thermionically emitted electrons was significantly reduced to 10 meV at 10 keV primary energy. According to theoretical conclusions there results a dependence ofΔE with primary energyE asE ^3/2. The arrangement was used for investigations of energy-loss-spectra of solids (Al and Ag) and gases (Ar).     

Development of a miniature double-pass cylindrical mirror electron energy analyzer (DPCMA), and its application to Auger photoelectron coincidence spectroscopy (APECS)

We have developed a miniature double-pass cylindrical mirror electron energy analyzer (DPCMA) with an outer diameter of 26 mm. The DPCMA consists of a shield for the electric field, inner and outer cylinders, two pinholes with a diameter of 2.0 mm, and an electron multiplier. By assembling the DPCMA in a coaxially symmetric mirror electron energy analyzer (ASMA) coaxially and confocally we developed an analyzer for Auger photoelectron coincidence spectroscopy (APECS). The performance was estimated by measuring the Si-LVV-Auger Si-1s-photoelectron coincidence spectra of clean Si(1 1 1). The electron-energy resolution of the DPCMA was estimated to be E/ΔE = 20. This value is better than that of the miniature single-pass CMA (E/ΔE = 12) that was used in the previous APECS analyzer.     

Green function theory of chemisorption on sp-hybrid crystals

A self-consistent Green function calculation of the adatom charge transfer (Δq) and the chemisorption energy (ΔE) is performed for hydrogen and the halogens on Si and Ge substrates, which are modeled by sp-hybrid orbital chains. The effect of Shockley surface states on the hydrogen chemisorption process is studied in some detail. From the chemisorption point of view, the behaviour of Si resembles that of Ge, the (111) surfaces having a smaller value of |ΔE| than the (100) ones for all the adsorbates considered. In the case of the halogens, the strong reactivity of fluorine is confirmed by the large values obtained for Δq and |ΔF|.     

Quenching points of dimeric single-molecule magnets: Exchange interaction effects

We study the quenched energy-splitting (Δ_E) of a single-molecule magnet (SMM) conformed by two exchange coupled giant-spins. An assessment of two nontrivial characteristics of this quenching is presented: (i) The quenching-points of a strongly exchange-coupled dimer differ from the ones of their respective giant-spin modeled SMM and such a difference can be well described by using the Solari-Kochetov extra phase; (ii) the dependence on the exchange coupling of the magnetic field values at the quenching-points when Δ_E passes from monomeric to dimeric behavior. The physics behind these exchange-modified points, their relation with the Δ_E-oscillations experimentally obtained by the Landau-Zener method and with the diabolical-plane of a SMM, is discussed.     

Impurity size and heavy doping effects on the energy gap of silicon at 0 K

The change in energy gap of degenerate silicon is expressed in terms of the impurity radius r_I, the total impurity concentration N_I and the type of crystal (n or p). It is applied to As, P, Sb, B, Al or Ga impurity-silicon systems and also written as: ΔE_g(r_I, N_I) = ΔE_u(r_I + ΔE_g,rI(N_I), where the first term represents the impurity size effect and the second represents the r_I-dependence of the heavy doping effect. It is shown that this dependence only occurs in BSi system. The present results are also compared with some other theories and experiments.     

Resonant Raman scattering in GaP in the E0 − E0 + Δ0 region

Resonant enhancement of the cross section for Raman scattering by TO phonons in GaP at the E₀ and E₀ + Δ₀ gaps has been observed using a continuously tunable pulsed dye laser pumped by a nitrogen laser and a gated photon counting system. The resonance at the spin-orbit split E₀ + Δ₀ gap is much weaker than that at E₀ and has not been observed previously in first-order Raman scattering. The results are in good agreement with theoretical predictions.     

A cellular model for the Mössbauer isomer shift of 99Ru, 193Ir, 195Pt and 197Au in transition metal alloys

It is demonstrated that the isomer shift of Mössbauer nuclei in transition metal alloys can be quantitatively described in terms of an atomic cell model. The isomer shift ΔE, relative to the pure metal as a reference, is derived from a change in boundary conditions for the atomic cell; $\text{ΔE = PΔφ}{}^1\text{+ QΔn}{}_{\mathrm{ws}}$, where ø¹ is the electronegativity parameter, n_ws the cell boundary electron density and P and Q are constants for a given Mössbauer nucleus. For solid solutions there is in addition a relatively small size mismatch term.     

Multiparameter study of 1H, 3H and 4He in fast neutron induced fission of 235U

The emission probabilities per fission of α-particles, tritons and protons have been measured in fast neutron induced fission of ²³⁵U. The measurements were carried out at neutron energies of 120, 180, 230 and 550 keV. AΔE-E semiconductor detector telescope was used to identify different light charged particles and the fission fragments were detected with an ionization chamber. The three-parameter data corresponding to the pulse heights from the ΔE-E detectors and the ion-chamber were recorded event by event on magnetic tape and were analyzed off-line by computer. No significant variation in the most probable energy ($\text{E}$) and the standard deviation (σ_E) of the energy spectra of different light charged particles with incident neutron energy was observed, although $\text{E}{}_{\mathrm{\alpha }}$ was seen to have a slightly higher value beyond E_n = 230 keV. The yield of α-particles in fission induced by neutrons of E_n ～ 200 keV was found to be higher by about 20 % than that in thermal neutron induced fission. The yields of tritons and protons were found to increase significantly with neutron energy.     

Vertex correction of the anisotropic magnetic impurities to the spin polarization of 2D electron gas

In terms of Kubo's formula and Green's function method, for the two-dimensional electron gas (2DEG) with Rashba spin-orbit coupling (SOC), we study the spin polarization due to the effect from magnetic impurities with anisotropic spin dependent delta type coupling to electrons when an external dc electric field in plane is applied. The vertex correction of impurities in ladder approximation is carried out in the limit of EF?1/τ, Δ. We find that the strength of spin polarization can be significantly modified by vertex correction and the spin polarization is relevant to the anisotropy coefficient γ, but the direction of net spin polarization cannot be changed.     

Quantum beats observed in time resolved X-ray interference experiments

We have employed an LLL-type X-ray interferometer with a mirror crystal divided into two parts and X-cut quartz crystals attached aside each mirror. Ultrasound waves of slightly different frequencies around f = 10 MHz (phonon energies around hf = 41 neV) are fed into the mirrors. The interaction with the coherent photon beams in the interferometer causes quantum beats in the interference intensity. In time resolved interference experiments beat frequencies of Δf = 96 mHz (in energy scale ΔE = hΔf = 397 atto-eV = 3.97 × 10⁻¹⁶ eV) were observed. The energy sensitivity of our experiments achieved values δE = 15.6 zepto-eV = 1.56 × 10⁻²⁰ eV.     

A quantum-mechanical model for the ionization and excitation of atoms during sputtering

A quantum-mechanical model is developed for the process by which an atom is excited or ionized as it is sputtered from a metal surface. The probability of excitation is given by R = (A/ΔE)²(hv/aΔE)ⁿ, where A is the binding energy of a surface atom before sputtering, v is its average velocity after sputtering, a is the thickness of the surface, and Δ E the excitation energy. For ionization, ΔE = I?φ, with I the ionization energy of the sputtered atom, and φ the work function of tke surface. Available experimental data for ionization are fitted best with a = (1.4 ± 0.3)A?, and n = 2.5 ± 0.3. The model is expected to be applicable to bombarding energies up to about 100 keV.