Photo-induced volume changes in selenium. Tight-binding molecular dynamics study

Tight-binding molecular dynamics simulations of photo-excitations in small Se clusters (isolated Se$_8$ ring and helical Se chain) and glassy Se networks (containing 162 atoms) were carried out in order to analyse the photo induced instability inside the amorphous selenium. In the cluster systems after taking an electron from the highest occupied molecular orbital to the lowest unoccupied molecular orbital a bond breaking occurs. In the glassy networks photoinduced volume expansion was observed and at the same time the number of coordination defects changed significantly due to illumination

Carrier-Induced Magnetic Circular Dichloism in the Magnetoresistive Pyrochlore Tl2Mn2O7

Infrared magnetic circular dichloism (MCD), or equivalently magneto-optical Kerr effect, has been measured on the Tl2Mn2O7 pyrochlore, which is well known for exhibiting a large magnetoresistance around the Curie temperature T_C ~ 120 K. A circularly polarized, infrared synchrotron radiation is used as the light source. A pronounced MCD signal is observed exactly at the plasma edge of the reflectivity near and below T_c. However, contrary to the conventional behavior of MCD for ferromagnets, the observed MCD of Tl2Mn2O7 grows with the applied magnetic field, and not scaled with the internal magnetization. It is shown that these results can be basically understood in terms of a classical magnetoplasma resonance. The absence of a magnetization-scaled MCD indicates a weak spin-orbit coupling of the carriers in Tl2Mn2O7. We discuss the present results in terms of the microscopic electronic structures of Tl2Mn2O7.Comment: 5 pages, 5 figures, submitted to J. Phys. Soc. Jp

Electrical properties of a-antimony selenide

This paper reports conduction mechanism in a-\sbse over a wide range of temperature (238K to 338K) and frequency (5Hz to 100kHz). The d.c. conductivity measured as a function of temperature shows semiconducting behaviour with activation energy $\Delta$E= 0.42 eV. Thermally induced changes in the electrical and dielectric properties of a-\sbse have been examined. The a.c. conductivity in the material has been explained using modified CBH model. The band conduction and single polaron hopping is dominant above room temperature. However, in the lower temperature range the bipolaron hopping dominates.Comment: 9 pages (RevTeX, LaTeX2e), 9 psfigures, also at http://pu.chd.nic.in/ftp/pub/san16 e-mail: gautam%[email protected]

Intermediate Valence Model for the Colossal Magnetoresistance in Tl_{2}Mn_{2}O_{7}

The colossal magnetoresistance exhibited by Tl_{2}Mn_{2}O_{7} is an interesting phenomenon, as it is very similar to that found in perovskite manganese oxides although the compound differs both in its crystalline structure and electronic properties from the manganites. At the same time, other pyrochlore compounds, though sharing the same structure with Tl_{2}Mn_{2}O_{7}, do not exhibit the strong coupling between magnetism and transport properties found in this material. Mostly due to the absence of evidence for significant doping into the Mn-O sublattice, and the tendency of Tl to form conduction bands, the traditional double exchange mechanism mentioned in connection with manganites does not seem suitable to explain the experimental results in this case. We propose a model for Tl_{2}Mn_{2}O_{7} consisting of a lattice of intermediate valence ions fluctuating between two magnetic configurations, representing Mn-3d orbitals, hybridized with a conduction band, which we associate with Tl. This model had been proposed originally for the analysis of intermediate valence Tm compounds. With a simplified treatment of the model we obtain the electronic structure and transport properties of Tl_{2}Mn_{2}O_{7}, with good qualitative agreement to experiments. The presence of a hybridization gap in the density of states seems important to understand the reported Hall data.Comment: 8 pages + 5 postscript fig

Correlated percolation and the correlated resistor network

We present some exact results on percolation properties of the Ising model, when the range of the percolating bonds is larger than nearest-neighbors. We show that for a percolation range to next-nearest neighbors the percolation threshold Tp is still equal to the Ising critical temperature Tc, and present the phase diagram for this type of percolation. In addition, we present Monte Carlo calculations of the finite size behavior of the correlated resistor network defined on the Ising model. The thermal exponent t of the conductivity that follows from it is found to be t = 0.2000 +- 0.0007. We observe no corrections to scaling in its finite size behavior.Comment: 16 pages, REVTeX, 6 figures include

Electronic transport and optical properties of proton-implanted amorphous 2CdO Á GeO 2 ®lms

Abstract Films of amorphous 2CdO Á GeO 2 with the band gap of 3.4 eV were prepared by rf sputtering. Protons were implanted into the ®lms at doses 2 Â 10 14 ±2 Â 10 16 cm À2 . On going from 2 Â 10 14 to 2 Â 10 16 cm À2 , dc conductivity at 300 K increased from $10 À9 to$ 10 1 S cm À1 and its activation energy fell from $1 eV to almost zero (degenerate state). This result indicates that the Fermi level of this amorphous material may be controlled by proton implantation. The sign of Hall and Seebeck coecients were negative, showing n-type electrical conduction and no pn sign anomaly in Hall voltages. The Hall mobility was of the order of 10 cm 2 V À1 s À1 (even at carrier concentration of$ 3 Â 10 19 cm À3 ), which is larger by several orders of magnitude than that of existing amorphous semiconductors. No degradation of visible transparency was observed in all implanted samples. The optical conductivity may be described by the classical Drude formula with a single relaxation time, 2X7 Â 10 À15 s. X-ray radial distribution function revealed that the local structure around Cd 2 (coordination number; $6) and Ge 4 ($ 4) in the amorphous state is close to that of crystalline Cd 2 GeO 4 and the amorphous state has a distribution of Cd±O±Cd bond angles. We assume that the electronic transport properties of the present material primarily originate from the extended conduction bands composed of Cd 5s orbitals.

Origin and pressure dependence of ferromagnetism in A2Mn2O7 pyrochlores (A=Y, In, Lu, and Tl)

Non-conventional mechanisms have been recently invoked in order to explain the ferromagnetic ground state of A2Mn2O7 pyrochlores (A=Y, In, Lu and Tl) and the puzzling decrease of their Curie temperatures with applied pressure. Here we show, using a perturbation expansion in the Mn-O hopping term, that both features can be understood within the superexhange model, provided that the intra-atomic oxygen interactions are properly taken into account. An additional coupling between the Mn ions mediated by the In(5s)/Tl(6s) bands yields the higher Tc's of these two compounds, this mechamism enhancing their ferromagnetism for higher pressures.Comment: 7 pages and 2 figures submitted to Phys. Rev. B, missing text adde

First order transition and phase separation in pyrochlores with colossal-magnetoresistance

Tl$_{2}$Mn$_{2}$O$_{7}$ pyrochlores present colossal magnetoresistance (CMR) around the long range ferromagnetic ordering temperature (T$_{C}$). The character of this magnetic phase transition has been determined to be first order, by purely magnetic methods, in contrast to the second order character previously reported by Zhao et al. (Phys. Rev. Lett. 83, 219 (1999)). The highest CMR effect, as in Tl$_{1.8}$Cd$_{0.2}$Mn$_{2}$O$_{7}$, corresponds to a stronger first order character. This character implies a second type of magnetic interaction, besides the direct superexchange between the Mn$^{4+}$ ions, as well as a phase coexistence. A model is proposed, with a complete Hamiltonian (including superexchange and an indirect interaction), which reproduce the observed phenomenology.Comment: 6 pages. Figures include