Interrelation between electronic structure and interatomic distances for compounds

The heat capacity was studied for LaMn₂Si₂, La_0.75Y_0.25Mn₂Si₂, La_0.7Y_0.3Mn₂Si₂, YMn₂Si₂ and LaFe₂Si₂ isostructural intermetallic compounds in the temperature range 1.8–360 K. The electronic, magnetic and lattice contributions to the heat capacity of the compounds were determined and analyzed. The interrelation was found between values of the electronic contribution to the heat capacity (density of states at the Fermi level) and crystal lattice parameters of R(Mn,Fe,Ni)₂Si₂ compounds. The electronic contribution and the density of states at Fermi level increase with increasing lattice parameters of the compounds. The change of interlayer Mn–Mn exchange interactions with change of Y concentration in La_1-xY_xMn₂Si₂ compounds is not accompanied by considerable changes in the electronic contribution to the heat capacity and density of states at the Fermi level. The performed analysis of the magnetic contribution shows that no essential differences exist between the behavior of the heat capacity of the compounds with d_Mn–Mnd_c and with d_Mn–Mn<d_c upon various types of the magnetic phase transitions.     

Spin polarization and charge transfer of Co nanoclusters coated with CO molecules

We have investigated magnetic properties of Co clusters coated with CO molecules by first-principles density functional calculations. Total magnetic moment of the system decreases with the increase of CO molecule concentration regardless of adsorption sites for CO molecules. Spin polarization slightly increases as CO molecules are adsorbed on the most stable sites of Co cluster, which is caused by the increased local spin polarization of p-electrons due to charge transfer from Co clusters to CO molecules.     

Magnetic octupole order in : A polarized neutron diffraction study

Recently, in phase IV of Ce_xLa_1-xB₆, weak but distinct superlattice reflections from the order parameter of phase IV have been detected by our unpolarized neutron scattering experiment [K. Kuwahara, K. Iwasa, M. Kohgi, N. Aso, M. Sera, F. Iga, J. Phys. Soc. Japan 76 (2007) 093702]. The scattering vector dependence of the intensity of superlattice reflections is quite unusual; the intensity is stronger for high scattering vectors. This result strongly indicates that the order parameter of phase IV is the magnetic octupole. However, the possibility that the observed superlattice reflections are due to lattice distortions could not be completely ruled out only on the basis of the unpolarized neutron scattering experiment. To confirm that the superlattice reflections are magnetic, therefore, we have performed a single crystal polarized neutron diffraction experiment on Ce_0.7La_0.3B₆. The obtained result has clearly shown that the time reversal symmetry is broken by the order parameter of phase IV. This is further evidence for the magnetic octupole order in Ce_xLa_1-xB₆.     

Effect of the -doping on the electron transport in a structure modulated by the magnetic barriers

The effect of the δ-doping on the electron transport has been theoretically studied in a structure modulated by the magnetic barriers. The results show that the transmission probability and the electron conductance can be dramatically suppressed by the weight of the δ-doping. However, the spin-injection efficiencies are obviously enhanced. In addition, the transmission probability and the spin-polarization both show a periodic profile with the increase of L₂. These interesting features will be more helpful for developing new types of devices.     

On the calculation of group characters

It is known that characters of irreducible representations of finite Lie algebras can be obtained using the Weyl character formula including Weyl group summations which make actual calculations almost impossible except for a few Lie algebras of lower rank. By starting from the Weyl character formula, we show that these characters can be re-expressed without referring to Weyl group summations. Some useful technical points are given in detail for the instructive example of G₂ Lie algebra.     

Transport properties of single crystal

Transport properties of BaNi₂P₂ single crystals prepared by high-pressure synthesis method have been investigated. The temperature dependence of the resistivity is that of a typical metal with the anisotropy ratio ρ/ρ of 6.3 and suggests that electron–phonon interaction dominates the scattering mechanism. We have also found that the Hall effect and the magnetoresistance can be explained by a two-carrier model which is consistent with a multiple-band structure with both hole and electron characters.     

Phase transitions in the quantum Hall liquid in a quantum wire

Two scenarios for the collapse of the ν=1 quantum Hall liquid (QHL) state, with the effective quantum wire (QW) width defined by the Fermi vector k_F, are studied. Here, ν for the QW is defined as the filling factor of Landau levels (LL) at the center of the QW. In the first one there is no electron redistribution at critical magnetic field , where the Fermi energy, E_F, coincides with the bottom of the empty upper spin-split LL. For the ν=1 state is unstable due to exchange-correlation effects and lateral confinement. In the second scenario, a transition to the ν=2 state occurs, with much smaller width, at . The latter scenario is analyzed in the Hartree–Fock approximation (HFA). Here the Hartree contribution to the total energy affects drastically due to strong electron redistribution in the QW. In both scenarios, the exchange-enhanced g-factor is suppressed at B_cr. The critical fields, activation energy, and optical g-factor obtained in the first scenario are very close to the measured ones.     

Spectral flow invariants and twisted cyclic theory for the Haar state on

In [A.L. Carey, J. Phillips, A. Rennie, Twisted cyclic theory and an index theory for the gauge invariant KMS state on Cuntz algebras. arXiv:0801.4605], we presented a K-theoretic approach to finding invariants of algebras with no non-trivial traces. This paper presents a new example that is more typical of the generic situation. This is the case of an algebra that admits only non-faithful traces, namely SU_q(2) and also KMS states. Our main results are index theorems (which calculate spectral flow), one using ordinary cyclic cohomology and the other using twisted cyclic cohomology, where the twisting comes from the generator of the modular group of the Haar state. In contrast to the Cuntz algebras studied in [A.L. Carey, J. Phillips, A. Rennie, Twisted cyclic theory and an index theory for the gauge invariant KMS state on Cuntz algebras. arXiv:0801.4605], the computations are considerably more complex and interesting, because there are non-trivial ‘eta’ contributions to this index.     

Valence bands spin splitting in GaAs/AlGaAs quantum wells

A quantitative comparison between different model calculations of valence band states in GaAs/AlGaAs heterostructures is presented. We demonstrate that a 14-band k.p Hamiltonian using a completely new parameterization based on fits of the tight-binding band structure leads to energy dispersion relations in excellent agreement with experiment, whereas previous parameterizations result in significant deviations. The relevance of the present results to the calculation of spin-related phenomena is discussed.     

Kondo coupling and Curie temperature of in the coherent potential approximation

The ferromagnetism of Ga_1-xMn_xAs is studied in the coherent potential approximation (CPA). In this work, we used the exact Hilbert transformation of the face-centered cubic (fcc) density of states (DOS), which is different from the usual semi-circle DOS employed in previous works. Using Weiss molecular theory, we obtained a nonlinear relation of Curie temperature with respect to Kondo coupling. Our calculated T_C agrees very well with measured values.     

Self-similarity of electrostatic fluctuations in a linear magnetised plasma system

In this Letter the long-range time correlations present in the fluctuation data in presence of electrostatic instability in a magnetised dc discharge plasma is presented. The electrostatic instability is generated due to the effect of crossed electric and magnetic field (E×B flow) and has intermediate frequency ranging from 50 to 100 MHz. Hurst exponent, the self-similarity parameter is calculated with the help of different statistical methods suggested by many researchers to determine the long-range time correlation present in fluctuation dynamics in the plasma column. The fluctuation in the ion saturation current is measured by a Langmuir probe for the study and the measurement is done both radially and axially in the plasma system. Estimated results clearly expose the self-similar character of the fluctuations with self-similarity parameters having values from 0.65 to 0.90 through the presence of long-range time correlation.     

Hypernuclear physics legacy and heritage of Dick Dalitz

The major contributions of Richard H. Dalitz to hypernuclear physics, since his first paper in 1955 to his last one in 2005 covering a span of 50 years during which he founded and led the theoretical study of hypernuclei, are reviewed from a personal perspective. Topical remarks on the search for quasi-bound -nuclear states and on kaon condensation are made.     

Cold nuclear matter effects on production: Intrinsic and extrinsic transverse momentum effects

Cold nuclear matter effects on J/ψ production in proton–nucleus and nucleus–nucleus collisions are evaluated taking into account the specific J/ψ-production kinematics at the partonic level, the shadowing of the initial parton distributions and the absorption in the nuclear matter. We consider two different parton processes for the -pair production: one with collinear gluons and a recoiling gluon in the final state and the other with initial gluons carrying intrinsic transverse momentum. Our results are compared to RHIC observables. The smaller values of the nuclear modification factor R_AA in the forward rapidity region (with respect to the mid rapidity region) are partially explained, therefore potentially reducing the need for recombination effects.     

Fabrication of polyaniline/ heterojunction structure using plasma enhanced polymerization technique

The work reports on the fabrication of a p–n heterojunction structure comprised of polyaniline (PANI) and TiO₂ nanoparticles. PANI was deposited by plasma enhanced polymerization on TiO₂ thin film substrates. The structural and the crystalline properties demonstrated the coherence and the substantive interaction of the plasma polymerized PANI molecules with the TiO₂ nanoparticle thin film. The UV–Vis studies of PANI/TiO₂ thin film supported the internalization of PANI with TiO₂ nanoparticles due to π–π^* transition of the phenyl rings with the lone pair electrons () of the nitrogen atom present in the PANI molecules. The I–V characteristics of the PANI/TiO₂ heterojunction structure were obtained in the forward and the reverse biased at applied voltage ranging from −1 V to +1 V with a scan rate of 2 mV/s. The proficient current in the PANI/TiO₂ heterojunction structure was attributed to the well penetration of PANI molecules into the pores of the TiO₂ nanoparticle thin film. The I–V characteristics ensured an efficient charge movement at the junction of PANI/TiO₂ interface and thus, behaved as a typical ohmic system.     

First-principles study of fundamental properties and electronic structure of alloys

We have performed first-principles calculations using full-potential augmented-plane-wave method to investigate the fundamental properties of the Cd_1–xZn_xTe alloys. The composition dependence of the lattice constant and the bulk modulus have been estimated from total energy calculations. By means of the analytical fitting the band structures in the vicinity of the Brillouin center a complete set of effective electron- and hole-masses have also been derived. In order to further understand the effects of the chemical bonding on the above macroscopic properties we then studied the relaxation behaviors and the changes of the electronic states upon alloying for x=0.25 system. The results presented here yield a general understanding of the fundamental properties for the Cd_1–xZn_xTe crystals studies.