Some of the Multiferroics [1] form a rare class of materials that exhibit magnetoelectric coupling arising from the coexistence of ferromagnetism and ferroelectricity, with potential for many technological applications.[2,3] Over the last decade, an active research on multiferroics has resulted in the identification of a few routes that lead to multiferroicity in bulk materials.[4-6] While ferroelectricity in a classic ferroelectric such as BaTiO3 is expected to diminish with the reducing particle size,[7,8] ferromagnetism cannot occur in its bulk form.[9] Here, we use a combination of experiment and first-principles simulations to demonstrate that multiferroic nature emerges in intermediate size nanocrystalline BaTiO3, ferromagnetism arising from the oxygen vacancies at the surface and ferroelectricity from the core. A strong coupling between a surface polar phonon and spin is shown to result in a magnetocapacitance effect observed at room temperature, which can open up possibilities of new electro-magneto-mechanical devices at the nano-scale.
We discuss the particle size driven tunability of the coexistence of ferromagnetism and ferroelectricity in Pr0.67Ca0.33MnO3(PCMO) with the help of x ray diffraction, magnetization, impedance spectroscopy, and remanent polarization measurements. The remanent polarization measurements using the positive up negative down method clearly prove the existence of ferroelectricity in PCMO with phase separation between Zener polaron(ZP) ordered P21nm and disordered Pbnm structures. We also find that the ferroelectric response is enhanced in nanocrystalline samples so long as ZP ordering is not destroye…
The perovskite (1-x)YMnO$_3$-xBiFeO$_3$ binary system is very promising because of its multiferroic end members. Nanocrystalline phases have been recently obtained by mechanosynthesis across the system, and the perovskite structural evolution has been described. Two continuous solid solutions with orthorhombic Pnma and rhombohedral R3c symmetries were found, which coexist within a broad compositional interval of 0.5 < x < 0.9. This might be a polar-nonpolar morphotropic phase boundary region, at which strong phase-change magnetoelectric responses can be expected. A major issue is phase decompo…
Nominally pure nanocrystalline KTaO3 was thoroughly investigated by micro-Raman and magnetic resonance spectroscopic techniques. In all samples the defect driven ferroelectricity and magnetism are registered. Both ordering states are suggested to appear due to the iron atoms and oxygen vacancies. The concentration of defects was estimated to be 0.04 and 0.06-0.1 mole %, respectively. Note that undoped single crystals of KTaO3 are nonmagnetic and have never exhibited ferromagnetic properties. The results enable us to refer a nanosized KTa(Fe)O3 to the class of multiferroics and assume that it c…
Some recent experimental studies show the invisibility of antiferromagnetic transition in the cases of manganites when their particle size is reduced to nanometer scale. In complete contrast to these cases, we have observed the signature of antiferromagnetic transition in the magnetocaloric properties of nanocrystalline La$_{0.125}$Ca$_{0.875}$MnO$_{3}$ of average particle size 70 and 60 nm similar to its polycrystalline bulk form. The system exhibit inverse magnetocaloric effect in its polycrystalline and nanocrystalline form. An extra ferromagnetic phase is stabilized at low temperature for …
Nanostructure and mechanical properties of bulk nanocristalline cubic boron nitride have been studied by transmission electron microscopy, and micro- and nanoindentation. The obtained data on hardness, elastic properties and fracture toughness clearly indicate that nano-cBN belongs to a family of advanced ultra-hard materials.
We report that CaMn$_7$O$_{12}$ is a new magnetic multiferroic material. The appearance of a ferroelectric polarization coinciding with the magnetic phase transition ($\sim90$ K) suggests the presence of ferroelectricity induced by magnetism, further confirmed by its strong magnetoelectric response. With respect to other known magnetic multiferroics, CaMn$_7$O$_{12}$ displays attractive multiferroic properties, such as a high ferroelectric critical temperature and large polarization. More importantly, these results open a new avenue to search for magnetic multiferroics in the catalogue of dope…
In this study, severe plastic deformation by high pressure torsion is used as a fabrication method for nanocrystalline magnetic CuCo alloys in bulk quantities. By subsequent isothermal annealing, phase separation of the supersaturated solid solutions can be obtained. The magnetic properties of the as-processed and annealed materials have been studied systemically and correlated to the evolving nanostructures investigated in detail by transmission electron microscopy and atom probe tomography. By additional high pressure torsion deformation at liquid nitrogen temperature the magnetic properties…
Single-crystal samples of LiCu2O2 with spin 1/2 Cu2+ chains of edge-sharing CuO4 square planes (ribbon chains), have been characterized by X-ray diffraction, thermogravimetric analysis, and magnetic measurements. Neither the atomic deficiency nor the mixing of Cu and Li atoms has been found, indicating that lattice defects conceived as a possible origin of the reported multiferroic behavior can be excluded. Anomalies found in the data of specific heat and neutron magnetic Bragg reflections show clear evidence that the system exhibits successive magnetic transitions at TN1=24.5 K and TN2=22.8 K…
The GaSb and Ga0.62In0.38Sb nanocrystals were embedded in the SiO2 films by radio-frequency magnetron co-sputtering and were grown on GaSb and Si substrates at different temperatures. We present results on the 10K excitonic photoluminescence (PL) properties of nanocrystalline GaSb and Ga0.62In0.38Sb as a function of their size. The measurements show that the PL of the GaSb and Ga0.62In0.38Sb nanocrystallites follows the quantum confinement model very closely. By using deconvolution of PL spectra, origins of structures in photoluminescence were identified.
The vibrational density of states (VDOS) of nanoclusters and nanocrystalline materials are derived from molecular-dynamics simulations using empirical tight-binding potentials. The results show that the VDOS inside nanoclusters can be understood as that of the corresponding bulk system compressed by the capillary pressure. At the surface of the nanoparticles the VDOS exhibits a strong enhancement at low energies and shows structures similar to that found near flat crystalline surfaces. For the nanocrystalline materials an increased VDOS is found at high and low phonon energies, in agreement wi…
Materials that combine magnetic and ferroelectric properties have generated increasing interest over the last few years, due to both their diverse properties and their potential utility in new types of magnetoelectric device applications. In this review we discuss recent progress in the study of such magnetoelectric multiferroics which has been achieved using computational first-principles methods based on density functional theory. In particular, we show how first-principles methods have been successfully used to explain various properties of multiferroic materials and to predict novel effect…
The fabrication of Er-doped ZrO2-based nanocrystalline phase-separated silica optical preforms by the MCVD and solution doping techniques is presented. Fabricated preform cores are nearly transparent and contain phase-separated rare-earth doped nanocrystalline particles with diameters mainly in a range from 20 to 80 nm. High concentrations of erbium and aluminium in preform cores of about 0.3 and 14 mol%, respectively have been achieved without defects on the core-cladding interface. Spectral losses in a range 800-1600 nm and fluorescence spectra of erbium ions around 1550 nm measured on a fib…
Multiferroic properties of orthorhombic HoMnO3 (Pbnm space group) are significantly modified by epitaxial compressive strain along the a-axis. We are able to focus on the effect of strain solely along the a-axis by using an YAlO3 (010) substrate, which has only a small lattice mismatch with HoMnO3 along the other in-plane direction (the c-axis). Multiferroic properties of strained and relaxed HoMnO3 thin films are compared with those reported for bulk, and are found to differ widely. A relaxed film exhibits bulk-like properties such as a ferroelectric transition temperature of 25 K and an inco…
Many multiferroic materials, with various chemical compositions and crystal structures, have been discovered in the past years. Among these multiferroics, some perovskite manganites with ferroelectricity driven by magnetic orders are of particular interest. In these multiferroic perovskite manganites, not only their multiferroic properties are quite prominent, but also the involved physical mechanisms are very plenty and representative. In this Brief Review, we will introduce some recent theoretical and experimental progress on multiferroic manganites.
Bi3+ Doped Nanocrystalline Ni-Co-Zn Spinel Ferrites: Tuning of Physical, Electrical, Dielectric and Magnetic Properties for Advanced Spintronics Applications
Artificial superlattices of (BiFeO3)m(SrTiO3)m (m= 1 to 10 unit cells) consisting of multiferroic BiFeO3 and insulating SrTiO3 layers were fabricated on (100)-oriented SrTiO3 substrates by pulsed laser ablation. The remnant polarization and leakage current behavior were studied varying the periodicity (8-80A) of the superlattice. The leakage current was reduced by few orders of magnitude on increase of periodicity compared to single layer BiFeO3 thin films. Reduced leakage and intrinsic polarization hysteresis was observed and was confirmed by PUND analysis for periodicities in the range 20-60…
Optical properties of nanocrystalline red-emitting phosphor, Europium doped Yttria (Y$_{2}$O$_{3}$:Eu$^{3+})$, of average particle size 15 nm are investigated. The intensity of the strongest emission line at 612 nm is found to be highest in the nanocrystalline sample with 4 at. wt. % of Europium. The narrow electronic emission spectrum suggests a crystalline surrounding in this nanomaterial. We have estimated the strength of the crystal field parameter at the dopant site, which plays a crucial role in determining the appearance of the intense emission line. The equilibrium temperature of this …
The structure and magnetic properties of nanocrystalline PrCo$_3$ prepared by high-energy milling technique have been investigated by means of X-ray diffraction using the Rietveld method coupled to Curie temperature and magnetic measurements. The as-milled samples were subsequently annealed in temperature range from 750 to 1050 °C for 30 min to optimize the extrinsic properties. From x-ray studies of magnetic aligned samples, the magnetic anisotropy of this compounds is found uniaxial. The Curie temperature is 349 °K and no saturation reached at room temperature for applied field of 90 kOe. Th…
We have investigated the magnetic behavior of the nano crystals, synthesized by high-energy ball-milling, for a well-known geometrically frustrated spin-chain system, Ca3CoRhO6, and compared its magnetic characteristics with those of the bulk form by measuring ac and dc magnetization. The features attributable to the onset of 'partially disordered antiferromagnetism' (characterizing the bulk form) are not seen in the magnetization data of the nano particles; the magnetic moment at high fields in the very low temperature range in the magnetically ordered state gets relatively enhanced in the na…
We develop a new Voronoi protocol, which is a space tessellation method, to generate fully dense (containing no voids) nanocrystalline models of copper (Cu) with precise grain size control; we also perform uniaxial tensile tests using molecular dynamical (MD) simulations to measure the elastic moduli of the grain boundary and the grain interior components at 300 K. We find that the grain boundary deforms more locally compared with the grain core region under thermal vibrations and is elastically less stiff than the core component at finite temperature. The elastic modulus of the grain boundary…
We demonstrate the use of model order reduction and neural networks for estimating the hysteresis properties of nanocrystalline permanent magnets from microstructure. With a data-driven approach, we learn the demagnetization curve from data-sets created by grain growth and micromagnetic simulations. We show that the granular structure of a magnet can be encoded within a low-dimensional latent space. Latent codes are constructed using a variational autoencoder. The mapping of structure code to hysteresis properties is a multi-target regression problem. We apply deep neural network and use param…
Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and electrodeposited Ni and Ni-based alloys, all with average grain sizes of ~20 nm, to study the influence of processing route. The two deposited materials had nearly identical grain boundary character distributions, both marked by a Σ3 length percentage of 23-25%. In contrast, the ball milled material had only 3% Σ3-type grain boundaries and a large fraction of…
YBaCuFeO5 is one of the interesting multiferroic compounds, which exhibits magnetic ordering and dielectric anomaly above 200 K. Partial substitution of Fe with other magnetic and non-magnetic ion affects the magnetic and the structural properties of the system. We report detailed investigation of structural, magnetic and dielectric properties of YBaCuFe0.85M0.15O5 (M=Co, Ni and Ga). We observed that the partial replacement of Ni and Co in place of Fe, results in magnetic dilution and broadening of the magnetic transition and shifting towards lower temperature. The replacement of Fe with non-m…
The magnetic and dielectric properties under high magnetic fields are studied in the single crystal of Cu3Mo2O9. This multiferroic compound has distorted tetrahedral spin chains. The effects of the quasi-one dimensionality and the geometrical spin frustration are expected to appear simultaneously. We measure the magnetoelectric current and the differential magnetization under the pulsed magnetic field up to 74 T. We also measure the electric polarization versus the electric field curve/loop under the static field up to 23 T. Dielectric properties change at the magnetic fields where the magneti…
The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, are investigated using first principles density functional theory calculations. The electric polarization is found to be rather independent of strain, in striking contrast to most conventional perovskite ferroelectrics. It is also not significantly affected by oxygen vacancies, or by the combined presence of strain and oxygen vacancies. The magnetization is also unaffected by strain, however the incorporation of oxygen…
The paper describes the capability of magnetic softening of a coarse grained bulk material by a severe deformation technique. Connecting the microstructure with magnetic properties, the coercive field decreases dramatically for grains smaller than the magnetic exchange length. This makes the investigation of soft magnetic properties of severely drawn pearlitic wires very interesting. With the help of the starting two phase microstructure, it is possible to substantially refine the material, which allows the investigation of magnetic properties for nanocrystalline bulk material. Compared to the…
Hybrid Monte Carlo (MC)/molecular dynamics (MD) simulations are conducted to study the microstructures of nanocrystalline (nc) Cu/Ag alloys with various Ag concentrations. When the Ag concentration is below 50 Ag atoms/nm!, an increase in Ag concentration leads to a gradual growth of monolayer grain boundary (GB) complexions into nanolayer complexions. Above the concentration of 50 Ag atoms/nm!, wetting layers with a bulk crystalline phase are observed. The effects of Ag on mechanical properties and deformation mechanisms of nc Cu/Ag alloys are investigated in MD simulations of uniaxial tensio…
The structure and magnetic properties of nanocrystalline PrCo$_3$ obtained from high energy milling technique are investigated by X-ray diffraction, Curie temperature determination and magnetic properties measurements are reported. The as-milled samples have been annealed in a temperature range of 1023 K to 1273 K for 30 mn to optimize the extrinsic properties. The Curie temperature is 349\,K and coercive fields of 55\,kOe at 10\,K and 12\,kOe at 293\,K are obtained on the samples annealed at 1023\,K. A simulation of the magnetic properties in the framework of micromagnetism has been performed…
Soft magnetic materials have low coercive fields and high permeability. Recently, nanocrystalline alloys obtained using annealing amorphous alloys have attracted much interest since nanocrystalline alloys with small grain sizes of tens of nanometers exhibit low coercive fields comparable to that of amorphous alloys. Since nanocrystalline soft magnetic materials attain remarkable soft magnetic properties by controlling the grain size, the crystal grains' microstructure has a substantial influence on the soft magnetic properties. In this research, we examined the magnetic properties of Fe-Si-B-P…
The light scattering properties of superconducting (Tc=3.8 K) heavily boron doped nanocrystalline diamond has been investigated by Raman spectroscopy using visible excitations. Fano type interference of the zone-center phonon line and the electronic continuum was identified. Lineshape analysis reveals Fano lineshapes with a significant asymmetry (q=-2). An anomalous wavelength dependence and small value of the Raman scattering amplitude is observed in agreement with previous studies.
We have studied the structural and superconducting properties of MgB$_2$ thin films made by pulsed laser deposition followed by in situ annealing. The cross-sectional transmission electron microscopy reveals a nanocrystalline mixture of textured MgO and MgB$_2$ with very small grain sizes. A zero-resistance transition temperature ($T_{c0}$) of 34 K and a zero-field critical current density ($J_c$) of $1.3 \times 10^6$ A/cm$^2$ were obtained. The irreversibility field was $\sim$ 8 T at low temperatures, although severe pinning instability was observed. These bulk-like superconducting properties…
First-principles electronic structure calculations have been performed for the double perovskite Bi$_2$CoMnO$_6$ in its non-centrosymmetric polar state using generalized gradient approximation plus Hubbard U approach. We find that while Co is in a high spin state, Mn is in an intermediate spin state. The calculated dynamical charge tensors are anisotropic reflecting a low-symmetry structure of the compound. Magnetic structure dependent phonon frequencies indicate the presence of spin-phonon coupling. Using Berry phase method, we obtain a spontaneous electronic polarization of 5.88 $μC/cm^2$ wh…
The bulk quaternary equiatomic CoCrFeNi alloy is studied extensively in literature. Under experimental conditions, it shows a single-phase fcc structure and its physical and mechanical properties are similar to those of the quinary equiatomic CoCrFeMnNi alloy. Many studies in literature have focused on the mechanical properties of bulk nanocrystalline high entropy alloys or compositionally complex alloys, and their microstructure evolution upon annealing. The thin film processing route offers an excellent alternative to form nanocrystalline alloys. Due to the high nucleation rate and high dens…
Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct atomic-scale simulations of plastic deformation of these materials are possible, as such a polycrystalline system can be modeled with the computational resources available today. We present molecular dynamics simulations of nanocrystalline copper with grain sizes up to 13 nm. Two different deformation mechanisms are active, one is deformation through the motion of…
Nanocrystalline materials exhibit properties that can differ substantially from those of their single crystal counterparts. As such, they provide ways to enhance and optimise their functionality for devices and applications. Here we report on the optical, mechanical and thermal properties of nanocrystalline silicon probed by means of optomechanical nanobeams to extract information of the dynamics of optical absorption, mechanical losses, heat generation and dissipation. The optomechanical nanobeams are fabricated using nanocrystalline films prepared by annealing amorphous silicon layers at dif…
We report on the exchange bias between antiferromagnetic and ferroelectric hexagonal YMnO3 epitaxial thin films sandwiched between a metallic electrode (Pt) and a soft ferromagnetic layer (Py). Anisotropic magnetoresistance measurements are performed to monitor the presence of an exchange bias field. When the heteroestructure is biased by an electric field, it turns out that the exchange bias field is suppressed. We discuss the dependence of the observed effect on the amplitude and polarity of the electric field. Particular attention is devoted to the role of current leakage across the ferroel…
The specific properties of incommensurate multiferroic phases resulting from the coupling of order-parameter replicates are worked out using the illustrative example of iron vanadate. The dephasing between the order-parameter copies induces an additional broken symmetry phase corresponding to the lowest symmetry of the system and varies critically at the transition to the multiferroic phase. It reflects the temperature dependence of the angle between paired spins in the antiferromagnetic spiral structure. Expressing the transition order-parameters in terms of spin-density waves allows showing …
Superlattices composed of ferromagnetic Pr0.85Ca0.15MnO3 and ferroelectric Ba0.6Sr0.4TiO3 layers were fabricated on (100) SrTiO3 substrates by a pulsed-laser deposition method. The capacitance and resistive parts of the samples were analyzed from the complex impedance measurements, performed on the samples using a special experimental set-up. The superlattice with larger ferroelectric thickness shows unique characteristics which are not present in the parent ferromagnetic thin film. The superlattice show both ferromagnetic and ferroelectric transitions which is an evidence for the coexistence …
In this study, a series of nanocrystalline ferrites of Ni0.7Cu0.30AlxFe2-xO4 (x=0.00 to 0.10 with a step of 0.02) has been synthesized through the sol-gel auto combustion technique. The structural, morphological, dielectric, and electrical properties of the Ni-Cu spinel ferrite nanoparticles are analyzed due to the substitution of Al3+ content. The crystalline and structural characteristics of the prepared nanoparticles (NPs) have been studied employing the x-ray diffraction (XRD) spectra and FTIR analysis. The extracted XRD patterns assure the single-phase cubic spinel structure of all sample…
A series of superlattices composed of ferromagnetic La$_{0.7}$Ca$_{0.3}$MnO$_3$ (LCMO) and ferroelectric/paraelectric Ba$_{1-x}$Sr$_x$TiO$_3$ (0$\leq $x$\leq $1) were deposited on SrTiO$_3$ substrates using the pulsed laser deposition. Films of epitaxial nature comprised of spherical mounds having uniform size are obtained. Magnetotransport properties of the films reveal a ferromagnetic Curie temperature in the range of 145-158 K and negative magnetoresistance as high as 30%, depending on the type of ferroelectric layers employed for their growth (\QTR{it}{i.e.} '\QTR{it}{x'} value). Ferroelec…
Specific features of the magnetic properties and magnetic dynamics of isolated phase separation domains in GdMn2O5 and Gd0.8Ce0.2Mn2O5 have been investigated. These domains represent 1D superlattices consisting of dielectric and conducting layers with the ferromagnetic orientation of their spins. A set of ferromagnetic resonances of separate superlattice layers has been studied. The properties of the 1D superlattices in GdMn2O5 and Gd0.8Ce0.2Mn2O5 are compared with the properties of the previously investigated RMn2O5 (R = Eu, Tb, Er, and Bi) series. The similarity of the properties for all the…
A series of superlattices and trilayers composed of ferromagnetic and ferroelectric or paraelectric layers were grown on (100) SrTiO3 by the pulsed laser deposition technique. Their structural and magneto-electric properties were examined. The superlattices made of ferromagnetic Pr0.85Ca0.15MnO3 (PCMO) and a ferroelectric, namely Ba0.6Sr0.4TiO3 (BST) or BaTiO3, showed enhanced magnetoresistance (MR) at high applied magnetic field, whereas such enhancement was absent in Pr0.85Ca0.15MnO3/SrTiO3 superlattices, which clearly demonstrates the preponderant role of the ferroelectric layers in this en…
Mechanical alloying (MA) has been used to fabricate the Co2FeAl Heusler alloy with a nanocrystalline structure. The formation mechanism of the alloy has been investigated. Rietveld analysis showed that all samples that were milled for more than 15 hours had an L21 structure with a space group of Fm3m. The crystallite size and internal strain of the samples were calculated using the Williamson-Hall equation. With mechanical alloying of up to 20 hours the crystallite size of Co2FeAl increased, after which the crystallite size started to decrease. In contrast, internal strain first decreased duri…
Platinum diselenide (PtSe${_2}$) is a two-dimensional (2D) material with outstanding electronic and piezoresistive properties. The material can be grown at low temperatures in a scalable manner which makes it extremely appealing for many potential electronics, photonics, and sensing applications. Here, we investigate the nanocrystalline structure of different PtSe${_2}$ thin films grown by thermally assisted conversion (TAC) and correlate them with their electronic and piezoresistive properties. We use scanning transmission electron microscopy for structural analysis, X-ray photoelectron spect…
Superlattices composed of ferromagnetics, namely La$_{0.7}$Ca$_{0.3}$MnO$_3$ (LCMO), and ferroelectrics, namely, BaTiO$_3$(BTO) were grown on SrTiO$_3$ at 720$^o$C by pulsed laser deposition process. While the out-of-plane lattice parameters of the superlattices, as extracted from the X-ray diffraction studies, were found to be dependent on the BTO layer thickness, the in-plane lattice parameter is almost constant. The evolution of the strains, their nature, and their distribution in the samples, were examined by the conventional sin$^2ψ$ method. The effects of structural variation on the phys…
The effect of sintering temperatures (Ts) on the structural and magnetic properties of Ni0.6Zn0.4Fe2O4 (NZFO) ferrites synthesized by conventional double sintering method has been reported. The samples are sintered at 1200, 1250 and 1300 °C. The X-ray diffraction (XRD) analysis reveals the formation of a single phase cubic spinel structure of the sample. The magnetic parameters such as saturation magnetization, Ms; coercive field, Hc; remanent magnetization, Mr and Bohr magneton, μB are determined and well compared with reported values. The obtained values are found to be 71.94 emu/gm and 1.2 …
We present a first principles study of the series of multiferroic barium fluorides with the composition BaMF4, where M is Mn, Fe, Co, or Ni. We discuss trends in the structural, electronic, and magnetic properties, and we show that the ferroelectricity in these systems results from the "freezing in" of a single unstable polar phonon mode. In contrast to the case of the standard perovskite ferroelectrics, this structural distortion is not accompanied by charge transfer between cations and anions. Thus, the ferroelectric instability in the multiferroic barium fluorides arises solely due to size …
ABO3 perovskite multiferroic La0.5Bi0.5Mn0.5Fe0.5O3.09 where the B-site cations is responsible for the magnetic properties and the A-site cation with lone pair electron is responsible for the ferroelectric properties was synthesized at normal conditions. This oxide exhibits a ferromagnetic transition around 240 K with a well defined hysteresis loop, and a significant reversible remnant polarization below 67K similar to ferroelectric behavior. The magnetic interaction is interpreted by the ferromagnetic Fe3+-O-Mn3+ and antiferromagnetic Fe3+(Mn3+)-O-Fe3+(Mn3+) interactions competed each other, …
Ba2CoGe2O7, crystallizing in the noncentrosymmetric but nonpolar structure, belongs to a special class of multiferroic materials, whose properties are predetermined by the rotoinversion symmetry. Unlike inversion, the rotoinversion symmetry can be easily destroyed by the magnetization. Moreover, due to specific structural pattern, the magnetic structure of Ba2CoGe2O7 is relatively soft. Altogether, this leads to the rich variety of multiferroic properties, where the magnetic structure can be easily deformed by the magnetic field, inducing the electric polarization in the direction, which depen…
Bulk nanocrystalline materials of small and medium ferromagnetic content were produced using severe plastic deformation by high-pressure torsion at roomtemperature. Giant magnetoresistive behavior was found for as deformed materials, which was further improved by adjusting the microstructure with thermal treatments. The adequate range of annealing temperatures was assessed with in-situ synchrotron diffraction measurements. Thermally treated CuCo materials show larger giant magnetoresistance after annealing for 1 h at 300C, while for CuFe this annealing temperature is too high and decreases the…
We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic correlations can be tuned to engineer a Mott multiferroic state in 1/1 superlattice of LiOsO$_3$ and LiNbO$_3$. We use electronic structure calculations to predict that the (LiOsO$_3$)$_1$/(LiNbO$_3$)$_1$ superlattice is a type-I multiferroic material with a ferrolectric polarization of 41.2~$μ$C cm$^{-2}$, Curie temperature of 927\,K, and Néel temperature of 671\,K. O…
Two dimensional multiferroics inherit prominent physical properties from both low dimensional materials and magnetoelectric materials, and can go beyond their three dimensional counterparts for their unique structures. Here, based on density functional theory calculations, a MXene derivative, i.e., i-MXene (Ta$_{2/3}$Fe$_{1/3}$)$_2$CO$_2$, is predicted to be a type-I multiferroic material. Originated from the reliable $5d^0$ rule, its ferroelectricity is robust, with a moderate polarization up to $\sim12.33$ $μ$C/cm$^2$ along the a-axis, which can be easily switched and may persist above room …
We present atomistic simulations for the mechanical response of ultra nanocrystalline diamond, a polycrystalline form of diamond with grain diameters of the order of a few nm. We consider fully three-dimensional model structures, having several grains of random sizes and orientations, and employ state-of-the-art Monte Carlo simulations. We calculate structural properties, elastic constants and the hardness of the material; our results compare well with experimental observations for this material. Moreover, we verify that this material becomes softer at small grain sizes, in analogy to the obse…
Experimental data are given on the structure and properties of nanocrystalline hardening coatings of titanium nitride doped with copper, produced by plasma-assisted vacuum arc deposition by evaporating powder cathodes. A model of nanostructurization of this type of coatings is proposed. According to the model, the nanocrystallization in these materials is due to the dopant atoms, which form an amorphous sheath around a crystallite, thus defining its size.
In the present work, HfO2 thin film (100nm) has been deposited by sputtering technique and annealed at various temperatures ranging from 400 to 1000\degree (in step of 200 \degree) in O2 ambient for 10 min. The samples have been characterized using XRD, FTIR, EDAX, AFM and Laser Ellipsometer. The impact of annealing temperatures in O2 ambient on structural properties such as crystallite size, phase, orientation, stress have been studied using XRD. The Hf-O phonon peaks in the infrared absorption spectrum are detected at 512, 412 cm^-1 . The stretching vibration modes at 720 cm^-1 and 748 cm^-1…
The optical and vibrational properties of nanocrystalline thin films of MoS2, comprised of a mixture of edge terminated vertically aligned (ETVA) and (001)-oriented regions, on large insulating substrates are reported. From high resolution transmission electron microscopy (HRTEM), the average size of ETVA nanocrystals were ~5 nm and each nanocrystal consisted of only 3 to 5 monolayers of MoS2. The films were highly transparent (~80%) but the percent of transmittance decreased as the energy of the incident light approached to the band gap. Additionally, weak excitonic peaks were observed both i…
Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of this material as a function of the average grain size, employing atomistic simulations. From the calculated elastic constants and the estimated hardness, we observe softening of the material as the size of its grains decreases. We attribute the observed softening to the enhanced fraction of interfacial atoms as the average grain size becomes smaller. We provide a fitting formula for the scaling of the cohesive energ…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural computational modeling of engineering materials could help to optimize their mechanical properties for industrial applications (e.g. directional solidification for turbine blades). As a result, a multiscale modeling approach is developed to find a relation between manufacturing variables (e.g. temperature) and microstructural properties of crystalline materials …
We synthesize and study the structural and optical properties of nanocrystalline graphene monofluoride and graphite monofluoride, which are carbon-based wide bandgap materials. Using laser excitations 2.41 - 5.08 eV, we identify six emission modes of graphite monofluoride, spanning the visible spectrum from red to violet. The energy and linewidth of the modes point to defect-induced midgap states as the source of the photoemission. We discuss possible candidates. Our findings open the window to electro-optical applications of graphene fluoride.
