Search results for "LEVEL"
showing 10 items of 3465 documents
Colossal Density-Driven Resistance Response in the Negative Charge Transfer Insulator MnS2
2021
A reversible density driven insulator to metal to insulator transition in high-spin MnS_{2} is experimentally observed, leading with a colossal electrical resistance drop of 10^{8} Ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied S_{2}^{2-} σ_{3p}^{*} antibonding states crossing the Fermi level. This is a unique variant of the charge transfer insulator to metal transition for negative charge transfer insulators having anions with an unsaturated valence. By 36 GPa the emergence of the low-spin insulating arsenopyrite (P2_{1}/c) is confirmed, and the bulk metallicity is broken with the system returning to an insula…
Weakly Interacting Bose-Einstein Condensates under Rotation: Mean-Field versus Exact Solutions
2000
We consider a weakly-interacting, harmonically-trapped Bose-Einstein condensed gas under rotation and investigate the connection between the energies obtained from mean-field calculations and from exact diagonalizations in a subspace of degenerate states. From the latter we derive an approximation scheme valid in the thermodynamic limit of many particles. Mean-field results are shown to emerge as the correct leading-order approximation to exact calculations in the same subspace.
Pairing in a three-component Fermi gas
2006
We consider pairing in a three-component gas of degenerate fermions. In particular, we solve the finite temperature mean-field theory of an interacting gas for a system where both interaction strengths and fermion masses can be unequal. At zero temperature we find a a possibility of a quantum phase transition between states associated with pairing between different pairs of fermions. On the other hand, finite temperature behavior of the three-component system reveals some qualitative differences from the two-component gas: for a range of parameters it is possible to have two different critical temperatures. The lower one corresponds to a transition between different pairing channels, while …
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…
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…
Magnetic Exchange between Orbitally Degenerate Metal Ions: The Problem of Magnetic Anisotropy
2001
Abstract In this paper we show that a strong magnetic anisotropy appears in exchange mixed–valence clusters containing orbitally degenerate metal ions. Combining an effective Hamiltonian approach with the technique of the irreducible tensor operators (ITO) and pseudoangular momentum representation we have solved the problem of magnetic exchange in localized and delocalized (mixed–valence) systems with different overall symmetries ( D 2 h , D 3 h , D 4 h ). The energy pattern as well as the character of the magnetic anisotropy is closely related to the ground term of the ions, electron transfer pathways, and overall symmetry of the system being affected also by the local crystal fields, spin…
Transport measurements in InSe under high pressure and high temperature: shallow-to-deep donor transformation of Sn related donor impurities
2003
We have investigated the temperature dependence of the transport parameters of Sn-doped InSe at different pressures, up to 2.5 GPa. A noticeable change in the temperature dependence of all the transport parameters has been observed above 1.2 GPa. This fact is explained by assuming the transformation of Sn shallow donors into deep donors at a hydrostatic pressure of 1.1 GPa, and by taking into account the transfer of electrons from the absolute minimum to higher energy minima in the conduction band. At ambient pressure, the position of the Sn deep level is estimated to lie 75 ± 20 meV above the absolute conduction-band minimum.
Magnetic exchange between metal ions with unquenched orbital angular momenta: basic concepts and relevance to molecular magnetism
2010
This review article is a first attempt to give a systematic and comprehensive description (in the framework of the unified theoretical approach) of the exchange interactions in polynuclear systems based on orbitally degenerate metal ions in the context of their relevance to the modern molecular magnetism. Interest in these systems is related to the fundamental problems of magnetism and at the same time steered by a number of impressive potential applications of molecular magnets, like high-density memory storage units, nanoscale qubits, spintronics and photoswitchable devices. In the presence of orbital degeneracy, the conventional spin Hamiltonian (Heisenberg–Dirac–van Vleck model) becomes…