Search results for "ESA"
showing 10 items of 11914 documents
Mössbauer Spectroscopic Evidence of Angle-Dependent Intersystem Crossing in LiNbO3:Fe3+
1986
M\"ossbauer emission spectra of LiNb${\mathrm{O}}_{3}$:$^{57}\mathrm{Co}$ single crystals in magnetic fields up to 5 T at 4.2 K show initial populations of the $^{6}A_{1\mathrm{g}}$ Zeeman substates of ${\mathrm{Fe}}^{3+}$ which depend strongly on the angle between the crystallographic $c$ axis and the magnetic field. This is interpreted in terms of a crystal-field effect on excited states which influences the initial populations of the Zeeman sublevels of the $^{6}A_{1\mathrm{g}}$ ground term after the electron-capture decay of $^{57}\mathrm{Co}$. An intersystem crossing process due to orbit-lattice interaction can fairly well explain the angular dependence.
Structure and Thermodynamics of Binary Mixtures (Solutions)
2014
The concepts of chapter 2 are generalized to binary liquid mixtures (solutions). With the help of the concept of number and concentration fluctuations contact to the thermodynamics of solutions and physical chemistry of solutions is made. The perturbative RPA is shown to be equivalent to Flory’s theory of regular solutions. The phase diagrams of regular solutions and metal-salt solutions are discussed and explained in terms of the theories.
Phase transitions and phase equilibria in spherical confinement
2013
Phase transitions in finite systems are rounded and shifted and affected by boundary effects due to the surface of the system. This interplay of finite size and surface effects for fluids confined inside of a sphere of radius $R$ is studied by a phenomenological theory and Monte Carlo simulations of a model for colloid-polymer mixtures. For this system the phase separation in a colloid-rich phase and a polymer-rich phase has been previously studied extensively in the bulk. It is shown that spherical confinement can strongly enhance the miscibility of the mixture. Depending on the wall potentials at the confining surface, the wetting properties of the wall can be controlled, and this interpl…
SPATIAL MULTIFRACTALITY OF ELECTRONIC STATES AND THE METAL-INSULATOR TRANSITION IN DISORDERED SYSTEMS
1993
For the investigation of the spatial behavior of electronic wave functions in disordered systems, we employ the Anderson model of localization. The eigenstates of the corresponding Hamiltonian are calculated numerically by means of the Lanczos algorithm and are analyzed with respect to their spatial multifractal properties. We find that the wave functions show spatial multifractality for all parameter cases not too far away from the metal-insulator transition (MIT) which separates localized from extended states in this model. Exactly at the MIT, multifractality is expected to exist on all length scales larger than the lattice spacing. It is found that the corresponding singularity spectrum…
A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution
2013
Using a hybrid Hartree–Fock (HF)-DFT method combined with LCAO basis set and periodic supercell approach, the atomic, electronic structure and phonon properties of oxygen vacancies in ZnO and SrTiO3 were calculated and compared. The important role of a ghost basis function centered at the vacant site and defect spin state for SrTiO3 is discussed. It is shown that the use of hybrid functionals is vital for correct reproduction of defects basic properties. The Gibbs free energy of formation of oxygen vacancies and their considerable temperature dependence has been compared for the two oxides. These calculations were based on the polarizability model for the soft mode temperature behavior in S…
Effects of Conduction Band Structure and Dimensionality of the Electron Gas on Transport Properties of InSe under Pressure
1996
We report Hall effect and resistivity measurements in InSe under pressure. The electron concentration strongly decreases under pressure in samples exhibiting 3D transport behaviour. This is explained by the existence of an excited minimum in the conduction band moving to lower energies under pressure. The related impurity level traps electrons as it reaches the band gap and approaches the Fermi level. In samples exhibiting 2D behaviour the electron concentration remains constant. This behaviour, together with the pressure dependence of the Hall mobility, is consistent with a previous model which considers high mobility 3D electrons and low mobility 2D electrons to contribute to charge trans…
Effects of Nid-levels on the electronic band structure of NixCd1-xO semiconducting alloys
2017
NixCd1-xO has a ∼3 eV band edge offset and bandgap varying from 2.2 to 3.6 eV, which is potentially important for transparent electronic and photovoltaic applications. We present a systematic study of the electronic band structure of NixCd1-xO alloys across the composition range. Ion irradiation of alloy samples leads to a saturation of the electron concentration associated with pinning of the Fermi level (EF) at the Fermi stabilization energy, the common energy reference located at 4.9 eV below the vacuum level. The composition dependence of the pinned EF allows determination of the conduction band minimum (CBM) energy relative to the vacuum level. The unusually strong deviation of the CBM…
Influence of strain in the reduction of the internal electric field in GaN/AlN quantum dots grown ona-plane 6H-SiC
2006
The strain state of stacks of GaN/AIN quantum dots (QDs) grown on (0001) and (1120) 6H-SiC has been investigated by means of Raman spectroscopy. Depending on the orientation of the wurtzite axis with respect to the growth direction it is found that the piezoelectric contribution to the electrostatic potential may either reinforce that arising from the spontaneous polarization or oppose it. The experimental results are compared with a theoretical model for the strain and polarization field in QDs of both orientations that allows the calculation of the electrostatic potential in the QDs. Both the experimental results and the theoretical model indicate that the internal electric field and elec…
Magnetic exchange interaction in a pair of orbitally degenerate ions: Magnetic anisotropy of [Ti2Cl9]−3
2001
The theory of the kinetic exchange in a pair of orbitally degenerate ions developed by the authors [J. Phys. Chem. A 102, 200 (1998)] is applied to the case of face-shared bioctahedral dimer (overall D3h-symmetry). The effective kinetic exchange Hamiltonian is found for a 2T2–2T2 system taking into account all relevant transfer pathways and charge-transfer crystal field states. The influence of different transfer integrals involved in the kinetic exchange on the energy pattern and magnetic properties of the system is examined. The role of other related interactions (trigonal crystal field, spin–orbit coupling) is also discussed in detail. Using the pseudoangular momentum representation and …
Orbitally dependent kinetic exchange in cobalt(II) pairs: origin of the magnetic anisotropy
2003
Abstract A comprehensive theoretical study of the magnetic exchange between Co 2+ ions is reported. Using the microscopic background we deduce the general Hamiltonian for a corner-shared bioctahedral system involving kinetic exchange, spin–orbit coupling and low-symmetry local crystal field. This Hamiltonian acting within orbitally degenerate ground manifold 4 ( T 1g ) A ⊗ 4 ( T 1g ) B of the cobalt pair is expressed in terms of orbital and spin operators. We elucidate the major electronic factors controlling the exchange anisotropy in the Co(II) pairs. The degree of the magnetic anisotropy is shown to depend on the strength of the cubic crystal field and on the relative efficiency of two k…