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Showing PubMed Articles 1–25 of 1,000+ from Journal of physics. Condensed matter : an Institute of Physics journal

Manifestation of charge/orbital order and charge transfer in temperature-dependent optical conductivity of single-layered Pr0.5Ca1.5MnO4.

Half-doped single-layered manganite, Pr<sub>0:5</sub>Ca<sub>1:5</sub>MnO<sub>4</sub> has shown a charge/orbital order of the e<sub><i>g</i></sub> electrons and CE-type spin order of the t<sub>2<i>g</i></sub> electrons of the Mn ions. A previous experimental study on that system, supported by a simple modelling, has...

Enhancement of crossed Andreev reflection in a Kitaev ladder connected to normal metal leads.

We study nonlocal transport in a two-leg Kitaev ladder connected to
 two normal metals. The coupling between the two legs of the ladder
 when the legs are maintained at a (large) superconducting phase
 difference, results in the creation of subgap Andreev states. These
 states in turn are responsible for the enhancement of crossed Andreev
 reflection. We find that tuning the different parameters of the system
 suitably leads to enhancement of crossed Andreev r...

Disordered contacts can localize helical edge electrons.

It is well known that quantum spin Hall (QSH) edge modes being helical are immune to backscattering due to non-magnetic disorder within the sample. Thus, quantum spin Hall edge modes are non-localized and show a vanishing Hall resistance along with quantized 2-terminal, longitudinal and non-local resistances even in the presence of sample disorder. However, this is not the case for contact disorder. This paper shows that when all contacts are disordered in an N-terminal quantum spin Hall sample, then transp...

Spin-orbit-induced hole spin relaxation in a quantum dot molecule: the effect of s-p coupling.

We study the effect of the coupling between the hole s shell of one quantum dot and the p
 shell in the other dot forming a vertically stacked self-assembled quantum dot molecule on the spin relaxation between the
 sublevels of the hole s state. Using an effective model that captures
 the spin-orbit effects in the p shell irrespective of their origin, we show that the
 strong spin mixing in the p shell can be transferred to the s shell of the other dot,
 leading to en...

Density functional study of methyl butanoate adsorption and its C-O bonds cleavage on MoS2-based catalyst with various loads of Ni promoters.

Due to the increasing demands of new and renewable energy sources by utilising plant oils, uncovering the underlying physico-chemical phenomena at the atomic level responsible for the effective deoxygenation plays a vital role in improving the performance of well-known as well as in looking for the possible new catalysts. This study aims at investigating the adsorption and C-O bonds cleavage of methyl butanoate (MB) over MoS<sub>2</sub>-based catalyst with various loads of Ni pro...

Physical properties of epitaxial SrMnO2.5-δFγ oxyfluoride films.

Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to tailor the electronic properties of complex oxides instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO<sub>2.5-δ</sub>F<sub>γ</sub> films were synthesized via topotactic fluorination of SrMnO<sub>2.5</sub> films using polytetrafluoroethylene (PTFE) ...

Editorial: A special issue on plasmonic metamaterials.

Cross-linker mediated compaction and local morphologies in a model chromosome.

Chromatin and associated proteins constitute the highly folded structure of chromosomes. We consider a self-avoiding polymer model of the chromatin, segments of which may get cross-linked via protein binders that repel each other. The binders cluster together via the polymer mediated attraction, in turn, folding the polymer. Using molecular dynamics simulations, and a mean field description, we explicitly demonstrate the continuous nature of the folding transition, characterized by unimodal distributions of...

Topological phases of higher Chern numbers in Kitaev-Heisenberg ferromagnet with further-neighbor interactions.

Emergence of multiple topological phases with a series of Chern numbers, 
 $\pm 1$, $\mp 1$, $\pm 2$, $\mp 2$, $\pm 3$ and $\mp 4$, is 
 found in a ferromagnetic 
 Kitaev-Heisenberg-spin-anisotropic model on honeycomb lattice with 
 further neighbor interactions in the presence of an external magnetic field. 
 Magnon Chern insulating dispersions of this two-band model are studied 
 by using linear spin-wave theory formulated on the exact 

Nonequilibrium magnetic properties in oxygen-rich LaMnO3 nanoparticles.

Nonequilibrium magnetic properties of oxygen-rich LaMnO3.21 nanoparticles have been investigated by comprehensive magnetic measurements. The composition falls in the metamagnetic canted spin region of the magnetic phase diagram. However, the zero-field-cooling memory effect and frequency-dependent AC susceptibility reveal a re-entrant glassy state at low temperature. In contrast to the super-spin glass or cluster glass that re-enter from the high-temperature ferromagnetic state in previous studies, analyses...

Off-centered-symmetry-based band structure modulation of hexagonal WO3.

The accurate band gap of 2.24 eV for hexagonal WO<sub>3</sub> is obtained by adopting the revised Heyd-Scuseria-Ernzerhof screened hybrid functional. The large band gap is a result of the off-centered symmetry where the W atom forms two short and two long bonds with four neighboring in-plane O atoms. By adding/removing electrons into/from the crystal, the effect of charge doping is investigated. With introducing electrons, the off-centered symmetry gets weakened with a slight nar...

Competing interactions in a long-range spin-lattice coupled model and tricriticality.

The interplay of spin and lattice degrees of freedom on the critical behavior of magnetic phase transitions in strongly correlated systems can be studied analytically by constructing an effective model Hamiltonian for the corresponding order parameters. Here we consider such a model C-type Hamiltonian involving the coupling between order parameter and the strain field. Taking the strain interaction to be long-range in nature, we carry out a renormalization-group analysis at one-loop order. This reveals&...

The s-d exchange model as the underlying mechanism of magnetoresistance in ZnO doped with alkali metals.

High field magnetoresistance has been studied in epitaxial n-type ZnO:Na
 and ZnO:Li thin films in a temperature range between 4K and 150 K. The resulting
 negative magnetoresistance can be well fitted using a semiempirical model of Khosla
 and Fischer based on third order contributions to the s-d exchange Hamiltonian. The
 parameters obtained from this model were carefully analyzed. One of these parameters
 is related to a ratio between electron mobilities at zero fi...

Pressure-induced ferromagnetism and enhanced perpendicular magnetic anisotropy of bilayer CrI3.

Using the first principles calculations, we explored the pressure dependent magnetic properties of CrI3 bilayer CrI3 for AB and AA type stacking. We found an anti-ferromagnetic ground state in both pristine bilayer systems with indirect band gaps of 1.71 and 1.68 eV for AB and AA type system. However, the transition from anti-ferromagnetic to ferromagnetic state was achieved with the pressure and the band gap was decreased although the indirect band gap nature remains unchanged. We obtained a substantially ...

An experimental and theoretical study of magnetocaloric effect in Nd0.5Dy0.5FeO3.

A significant magnetocaloric effect has been revealed in our investigation on polycrystalline Nd<sub>0.5</sub>Dy<sub>0.5</sub>FeO<sub>3</sub> below 30 K. Observed magnetization of the system at low temperature is 32% higher than the expected average magnetization of NdFeO<sub>3</sub> and DyFeO<sub>3</sub>. Such an enhancement in the magnetization led to a large change i...

Nanofocusing and deceleration of terahertz plasma waves in tapered metal-insulator-graphene heterostructure.

Nanofocusing and deceleration of terahertz plasma waves in tapered metal-insulator-graphene heterostructure is studied theoretically. It is shown that, choosing an appropriate value of taper length for given values of the taper angle and the Fermi energy in a doped or gated graphene, the plasma wave energy density value in the vicinity of the taper apex exceeds its value in the taper inlet cross-section by tens of percent in spite of the Drude losses in graphene. The plasma wave decelerates while moving tow...

Electron transport through NiSi2-Si contacts and their role in recongurable field-effect transistors.

A model is presented which describes reconfigurable field-effect transistors with metal contacts, whose switching is controlled by manipulating the Schottky barriers at the contacts. The proposed modeling approach is able to bridge the gap between quantum effects on the atomic scale and the transistor switching. We apply the model to transistors with a silicon channel and NiSi<sub>2</sub> contacts. All relevant crystal orientations are compared, focusing on the differences betwee...

Titanium carbide sheet: metallic two-dimensional structure with intrinsic and high catalytic activity for the hydrogen evolution reaction.

Searching for a metallic material that possesses intrinsic and high catalytic activity is interesting for the hydrogen evolution reaction (HER) in the electrochemical reduction of water. In this work, via density functional theory (DFT), we identified a promising two-dimensional (2D) catalyst material, namely TiC (100) sheet, which is composed of two atomic layers. Phonon spectrum calculation shows that all vibrational modes of the TiC (100) sheet are real. Even at 1200 K, the geometrical structure of TiC (...

First principles study of semihydrogenated graphene and topological insulator heterojunction.

Based on first principles calculations, we study the electronic properties of heterostructures formed by a two-dimensional ferromagnetic insulator semihydrogenated graphene (SG) and topological insulator (TI) Bi2Se3 thin films of a few quintuple layers (QLs). It is found that the unsaturated C atoms in SG form bonds with Se atoms in Bi2Se3 thin film and the top surface states (at the interface) are strongly hybridized with SG. Due to breaking of time-reversal symmetry (TRS), the surface states open gaps of ...

Engineering magnetoresistance: A new perspective.

A new proposal is given to achieve high degree of magnetoresistance (MR)
 in a magnetic quantum device where two magnetic layers are separated by
 a non-magnetic (NM) quasiperiodic layer that acts as a spacer. The NM spacer
 is chosen in the form of well-known Aubry-Andr\'{e} or Harper (AAH) model
 which essentially gives the non-trivial features in MR due to its gaped
 spectrum and yields the opportunities of controlling MR selectively by
 tuning the AAH phas...

Topological phase transition with p orbitals in the exciton-polariton honeycomb lattice.

We study the topological phase transition with the TE-TM splitting in the p-orbital exciton-polariton honeycomb lattice. We find that some Dirac points survive at the high-symmetry points with space-inversion symmetry breaking, which reflects the characteristic of p orbitals. A phase diagram is obtained by the gap Chern number, from which the topological phase transition takes place in the intermediate gap. There is no topological phase transition in the bottom or top gap, and its edge state has the potenti...

Effect of electrophilic substitution and destructive quantum interference on the thermoelectric performance in molecular devices.

Using density function theory combined with the non-equilibrium Green's function method, the thermoelectric properties of para-Xylene-based molecular devices are investigated. It is found that destructive quantum interference can be triggered in n-type of para-connected para-Xylene-based molecular device and can obviously enhance the thermoelectric performance of the devices. Moreover, bridge atom electrophilic substitution can significantly improve the thermoelectric properties of p-type monolayer molecula...

Study of magneto capacitance effect, exchange bias, XMCD and XAS in La0.8Bi0.2Fe0.7Mn0.3O3/LaNiO3/LaAlO3 multiferroic thin film.

Magneto capacitance property of La0.8Bi0.2Fe0.7Mn0.3O3/LaNiO3/LaAlO3 thin film has been studied at an applied magnetic field of 0 T and 5 T. Variation of capacitance vs frequency at different temperatures (80 K, 100 K,180 K and 200 K) with the application of magnetic field depicts the unification of ferroic (ferroelectric and ferromagnetic) properties. This is significant aspect for a system to be multiferroic, a choice for better device application. Exchange bias effect is observed on meticulous study of h...

Ab-initio semi-classical electronic transport in ZnSe: The role of inelastic scattering mechanisms.

We present a detailed ab-initio study of semi-classical transport in n-ZnSe using Rode's iterative method.
 Inclusion of ionized impurity, piezoelectric, acoustic deformation and polar optical phonon scattering and
 their relative importance at low and room temperature for various n-ZnSe samples are discussed in depth.
 We have clearly noted that inelastic polar optical phonon scattering is the most dominant scattering mechanism
 over most of the temperature region. Our resul...

Small non-uniform basal crystal fields in HVPE free-standing GaN:Mg as evidenced by angular dependent and frequency-dependent EPR.

We studied thin-film and free-standing Mg-doped GaN using multi-frequency electron paramagnetic resonance (EPR) at 3-3.5 K and 9.4-130 GHz. Free-standing samples exhibit a highly anisotropic intensity, varying by a factor of 20 from 0<sup>o</sup> to 60<sup>o</sup>. In contrast, the intensity of the thin-film samples is significantly more isotropic, varying by no more than 10% over the same range of angles. The angular dependent intensity can be modeled...

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