arXiv subjects

D. D. Sarma

Publications and source records attributed to D. D. Sarma.

At least 91 records · Page 5Linked to original sources

arXiv2003

Metal-insulator Crossover Behavior at the Surface of NiS_2

We have performed a detailed high-resolution electron spectroscopic investigation of NiS$_2$ and related Se-substituted compounds NiS$_{2-x}$Se$_x$, which are known to be gapped insulators in the bulk at all temperatures. A large spectral weight at the Fermi energy of the room temperature spectrum, in conjunction with the extreme surface sensitivity of the experimental probe, however, suggests that the surface layer is metallic at 300 K. Interestingly, the evolution of the spectral function with decreasing temperature is characterized by a continuous depletion of the single-particle spectral weight at the Fermi energy and the development of a gap-like structure below a characteristic temperature, providing evidence for a metal-insulator crossover behavior at the surfaces of NiS$_2$ and of related compounds. These results provide a consistent description of the unusual transport properties observed in these systems.

cond-mat.str-el↗

arXiv2003

Remarkable thermal stability of BF3-doped polyaniline

We show that the recently synthesized BF3-doped polyaniline (PANI) exhibits remarkable stability against thermal ageing. Unlike the protonated PANI, which shows rapid degradation of the conductivity on heating in air, BF3-doped PANI shows more than an order of magnitude improvement in conductivity. We employ x-ray photoelectron spectroscopy (XPS), fourier transform infra-red (FTIR) spectroscopy, and x-ray diffraction (XRD) to understand this unexpected phenomenon.

cond-mat.mtrl-sci↗

arXiv2003

Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors

We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and conduction bands. It is shown that a nearest-neighbor $sp^3d^5$ model is fairly sufficient to describe to a large extent the electronic structure of these systems over a wide energy range, obviating the use of any fictitious $s^*$ orbital. The obtained hopping parameters obey the universal scaling law proposed by Harrison, ensuring transferability to other systems. Furthermore, we show that certain subtle features in the bonding of these compounds require the inclusion of anion-anion interactions in addition to the nearest-neighbor cation-anion interactions.

cond-mat.mtrl-sci↗

arXiv2003

An accurate description of quantum size effects in InP nanocrystallites over a wide range of sizes

We obtain an effective parametrization of the bulk electronic structure of InP within the Tight Binding scheme. Using these parameters, we calculate the electronic structure of InP clusters with the size ranging upto 7.5 nm. The calculated variations in the electronic structure as a function of the cluster size is found to be in excellent agreement with experimental results over the entire range of sizes, establishing the effectiveness and transferability of the obtained parameter strengths.

cond-mat.mtrl-sci↗

arXiv2003

Magnetic study of an amorphous conducting polyaniline

We show that newly found BF3-doped polyaniline, though highly conducting, remains amorphous. Magnetic studies reveal many unusual properties, while suggesting that the intrinsic conductivity of this system is significantly larger than all other known forms of conducting polyaniline, establishing it as an interesting class of highly conducting amorphous polymer.

cond-mat.mtrl-sci↗

arXiv2003

Structural and doping effects in the half-metallic double perovskite $A_2$CrWO$_6$

he structural, transport, magnetic and optical properties of the double perovskite $A_2$CrWO$_6$ with $A=\text{Sr, Ba, Ca}$ have been studied. By varying the alkaline earth ion on the $A$ site, the influence of steric effects on the Curie temperature $T_C$ and the saturation magnetization has been determined. A maximum $T_C=458$ K was found for Sr$_2$CrWO$_6$ having an almost undistorted perovskite structure with a tolerance factor $f\simeq 1$. For Ca$_2$CrWO$_6$ and Ba$_2$CrWO$_6$ structural changes result in a strong reduction of $T_C$. Our study strongly suggests that for the double perovskites in general an optimum $T_C$ is achieved only for $f \simeq 1$, that is, for an undistorted perovskite structure. Electron doping in Sr$_2$CrWO$_6$ by a partial substitution of Sr$^{2+}$ by La$^{3+}$ was found to reduce both $T_C$ and the saturation magnetization $M_s$. The reduction of $M_s$ could be attributed both to band structure effects and the Cr/W antisites induced by doping. Band structure calculations for Sr$_2$CrWO$_6$ predict an energy gap in the spin-up band, but a finite density of states for the spin-down band. The predictions of the band structure calculation are consistent with our optical measurements. Our experimental results support the presence of a kinetic energy driven mechanism in $A_2$CrWO$_6$, where ferromagnetism is stabilized by a hybridization of states of the nonmagnetic W-site positioned in between the high spin Cr-sites.

cond-mat.str-el↗

arXiv2003

Exploring the high pressure phase diagram of La$_{1-x}$Ca$_{x}$MnO$_{3}$

The structure of La$_{1-x}$Ca$_{x}$MnO$_{3}$ solid solutions (x=0, 0.25, 0.50, 0.67, 1) under high pressure (up to 40-45 GPa) has been investigated by synchrotron X-ray powder diffraction (XRD) in order to characterize their volume \emph{vs.} pressure (P-V) equation of state. All the members of the solid solution, except the extreme compounds: LaMnO$_3$ and CaMnO$_{3}$, present low pressure orthorhombic P$nma$ phase evolving toward an high pressure tetragonal (I$4/mcm$) symmetry. The details of this transition are related to the Ca doping: on increasing the Ca content, the critical pressure of the transition decreases, but the energetic cost of the transition increases. This study depicts a peculiar evolution of structural distortions as a function of pressure and concentration.

cond-mat.str-el↗

arXiv2003

In situ photoemission study of the room-temperature ferromagnet ZnGeP_2:Mn

The chemical states of the ZnGeP$_{2}$:Mn interface, which shows ferromagnetism above room-temperature, has been studied by photoemission spectroscopy. Mn deposition on the ZnGeP$_2$ substrate heated to 400$^{\circ}$C induced Mn substitution for Zn and then the formation of metallic Mn-Ge-P compounds. Depth profile studies have shown that Mn 3$d$ electrons changed their character from itinerant to localized along the depth, and in the deep region, dilute divalent Mn species ($\textless$ 5 % Mn) was observed with a coexisting metallic Fermi edge of non-Mn 3$d$ character. The possibility of hole doping through Mn substitution for Ge and/or Zn vacancy is discussed.

cond-mat.str-el↗

arXiv2003

Pressure-tuning of the electron-phonon coupling: the insulator to metal transition in manganites

A comprehensive understanding of the physical origin of the unique magnetic and transport properties of A_(1-x)A'^xMnO_3 manganites (A = trivalent rare-earth and A' = divalent alkali-earth metal) is still far from being achieved. The complexity of these systems arises from the interplay among several competing interactions of comparable strength. Recently the electron-phonon coupling, triggered by a Jahn-Teller distortion of the MnO_6 octahedra, has been recognised to play an essential role in the insulator to metal transition and in the closely related colossal magneto-resistance. The pressure tuning of the octahedral distortion gives a unique possibility to separate the basic interactions and, at least in principle, to follow the progressive transformation of a manganite from an intermediate towards a weak electron-phonon coupling regime. Using a diamond anvil cell, temperature and pressure-dependent infrared absorption spectra of La_(0.75)Ca_(0.25)MnO_3 have been collected and, from the spectral weight analysis, the pressure dependence of the insulator to metal transition temperature T_IM has been determined for the first time up to 11.2 GPa. The T_IM(P) curve we proposed to model the present data revealed a universality character in accounting for the whole class of intermediate coupling compounds. This property can be exploited to distinguish the intermediate from the weak coupling compounds pointing out the fundamental differences between the two coupling regimes.

cond-mat.mtrl-sci↗

arXiv2002

Novel aspects and strong correlation in the electronic structure of Sr$_2$FeMoO$_6$

We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to reveal several interesting aspects. We find evidence for unusually strong Coulomb correlation effects both in the Fe 3$d$ and O 2$p$ states, with an enhanced manifestation in the majority spin channel. Additionally, O 2$p$ states exhibit a spin-splitting of nonmagnetic origin, which nevertheless is likely to have subtle influence on the stability of novel ferromagnetism of this compound.

cond-mat.str-el↗

arXiv2002

Electronic structure of Millerite NiS

We investigate the electronic structure of Nickel sulphide (NiS) in the millerite phase using electron spectroscopic measurements and band structure as well as model Hamiltonian calculations. While band structure calculations are found to be relatively more successful in describing the experimental valence band spectrum of this highly conducting phase compared to the hexagonal phase of NiS, cluster calculations including electron correlation effects are found to be necessary for the description of certain features in the experimental spectra, indicating importance of correlation effects even in a highly metallic system. The electronic parameter strengths obtained from these calculations confirm that the millerite NiS is a highly covalent pd-metal. The comparative study of hexagonal and millerite forms of NiS, provides the information concerning the evolution of the spectral function in a pd-metal as a function of covalency.

cond-mat.str-el↗

arXiv2002

Electronic structure of In$_{1-x}$Mn$_x$As studied by photoemission spectroscopy: Comparison with Ga$_{1-x}$Mn$_x$As

We have investigated the electronic structure of the $p$-type diluted magnetic semiconductor In$_{1-x}$Mn$_x$As by photoemission spectroscopy. The Mn 3$d$ partial density of states is found to be basically similar to that of Ga$_{1-x}$Mn$_x$As. However, the impurity-band like states near the top of the valence band have not been observed by angle-resolved photoemission spectroscopy unlike Ga$_{1-x}$Mn$_x$As. This difference would explain the difference in transport, magnetic and optical properties of In$_{1-x}$Mn$_x$As and Ga$_{1-x}$Mn$_x$As. The different electronic structures are attributed to the weaker Mn 3$d$ - As 4$p$ hybridization in In$_{1-x}$Mn$_x$As than in Ga$_{1-x}$Mn$_x$As.

cond-mat.mtrl-sci↗

arXiv2001

Influence of quantum confinement on the ferromagnetism of (Ga,Mn)As diluted magnetic semiconductor

We investigate the effect of quantum confinement on the ferromagnetism of diluted magnetic semiconductor Ga$_{1-x}$Mn$_x$As using a combination of tight-binding and density functional methods. We observe strong majority-spin Mn $d$-As $p$ hybridization, as well as half metallic behavior, down to sizes as small as 20 Åin diameter. Below this critical size, the doped holes are self-trapped by the Mn-sites, signalling both valence and electronic transitions. Our results imply that magnetically doped III-V nanoparticles will provide a medium for manipulating the electronic structure of dilute magnetic semiconductors while conserving the ferromagnetic properties and even enhancing it in certain size regime.

cond-mat.mtrl-sci↗

arXiv2001

Electronic and Magnetic Structures of Sr2FeMoO6

We have investigated the electronic and magnetic structures of Sr2FeMoO6 employing site-specific direct probes, namely x-ray absorption spectroscopy with linearly and circularly polarized photons. In contrast to some previous suggestions, the results clearly establish that Fe is in the formal trivalent state in this compound. With the help of circularly polarized light, it is unambiguously shown that the moment at the Mo sites is below the limit of detection (< 0.25mu_B), resolving a previous controversy. We also show that the decrease of the observed moment in magnetization measurements from the theoretically expected value is driven by the presence of mis-site disorder between Fe and Mo sites.

cond-mat.str-el↗

arXiv2001

Spin, charge and orbital ordering in La0.5Sr1.5MnO4

We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites behaves like an Mn(3+) ion, favoring a Jahn-Teller distortion of the surrounding oxygen atoms, while the distortion around the other is not a simple breathing mode kind. Band structure effects are found to dominate the experimental spectrum for orbital and charge ordering, providing an alternate explanation for the experimentally observed results.

cond-mat.str-el↗

arXiv2001

Electronic structure of Ca$_{1-x}$Sr$_x$VO$_3$: a tale of two energy-scales

We investigate the electronic structure of Ca$_{1-x}$Sr$_x$VO$_3$ using photoemission spectroscopy. Core level spectra establish an electronic phase separation at the surface, leading to distinctly different surface electronic structure compared to the bulk. Analysis of the photoemission spectra of this system allowed us to separate the surface and bulk contributions. These results help us to understand properties related to two vastly differing energy-scales, namely the low energy-scale of thermal excitations (~$k_{B}T$) and the high-energy scale related to Coulomb and other electronic interactions.

cond-mat.str-el↗

arXiv2001

A new class of magnetic materials: Sr2FeMoO6 and related compounds

Ordered double perovskite oxides of the general formula, A2BB'O6, have been known for several decades to have interesting electronic and magnetic properties. However, a recent report of a spectacular negative magnetoresistance effect in a specific member of this family, namely Sr2FeMoO6, has brought this class of compounds under intense scrutiny. It is now believed that the origin of magnetism in this class of compounds is based on a novel kinetically-driven mechanism. This new mechanism is also likely to be responsible for the unusually high temperature ferromagnetism in several other systems, such as dilute magnetic semiconductors, as well as in various half-metallic ferromagnetic systems, such as Heussler alloys.

cond-mat.str-el↗

arXiv2001

Ab-initio study of disorder effects on the electronic and magnetic structures of Sr$_2$FeMoO$_6$

We have investigated the electronic structure of ordered and disordered Sr$_2$FeMoO$_6$ using {\it ab-initio} band structure methods. The effect of disorder was simulated within super-cell calculations to realize several configurations with mis-site disorders. It is found that such disorder effects destroy the half-metallic ferro-magnetic state of the ordered compound. It also leads to a substantial reduction of the magnetic moments at the Fe sites in the disordered configurations. Most interestingly, it is found for the disordered configurations, that the magnetic coupling within the Fe sub-lattice as well as that within the Mo sub-lattice always remain ferro-magnetic, while the two sub-lattices couple anti-ferromagnetically, in close analogy to the magnetic structure of the ordered compound, but in contrast to recent suggestions.

cond-mat.mtrl-sci↗