Advances in Condensed Matter Physics
[SJR: 0.248] [H-I: 10] [8 followers] Follow
Open Access journal
ISSN (Print) 1687-8108 - ISSN (Online) 1687-8124
Published by Hindawi [333 journals]
- Influence of Pressure on the Temperature Dependence of Quantum Oscillation
Phenomena in Semiconductors
Abstract: The influence of pressure on the oscillations of Shubnikov-de Haas (ShdH) and de Haas-van Alphen (dHvA) in semiconductors is studied. Working formula for the calculation of the influence of hydrostatic pressure on the Landau levels of electrons is obtained. The temperature dependence of quantum oscillations for different pressures is determined. The calculation results are compared with experimental data. It is shown that the effect of pressure on the band gap is manifested to oscillations and ShdH and dHvA effects in semiconductors.
PubDate: Mon, 20 Mar 2017 00:00:00 +000
- Geometrically Tunable Transverse Electric Field in Multilayered Structures
Abstract: Appearance of a transverse component in dc electric field with respect to the applied current is investigated in periodic multilayer composite structures made of nanometer-to-micrometer scale alternating layers of two different homogeneous and isotropic conducting materials. Dependence of the transverse electric field on geometrical orientation of the layers is examined using the coordinate transformation approach. Electric field bending angle as a function of the layers’ resistivity ratio is studied in detail. It is shown that both the direction and the magnitude of the field can be changed using orientation angle of the layers as a tuning parameter.
PubDate: Wed, 15 Mar 2017 06:34:27 +000
- Corrigendum to “Impact of Pressure and Brine Salinity on Capillary
Pressure-Water Saturation Relations in Geological CO2 Sequestration”
PubDate: Tue, 14 Mar 2017 00:00:00 +000
- Lattice Dynamics and Transport Properties of Multiferroic DyMn2O5
Abstract: We have investigated the optical and electrical properties of polycrystalline DyM synthesized by sol-gel method. Analysis of the reflectivity spectrum has led to the observation of 18 infrared (IR) active phonon modes out of 36 predicted ones. We discuss the results in terms of different phonon bands originated as a result of atomic vibrations. Moreover, the optical energy band gap of eV has been estimated from optical conductivity spectrum. The energy band gap and optical transitions were also determined from UV-visible absorption spectrum and band gap of eV was estimated. Moreover, DC electrical resistivity shows the p-type polaronic conduction above room temperature.
PubDate: Tue, 07 Mar 2017 00:00:00 +000
- Spin Transport and Magnetism in Low-Dimensional Materials
PubDate: Tue, 28 Feb 2017 14:45:16 +000
- Wideband Negative Permittivity and Double Negative Fishnet-Mushroom-Like
Metamaterial in X-Band Waveguide
Abstract: A Fishnet-Mushroom-like metamaterial electromagnetic behaviour is represented in -parameters numerically and experimentally for X-band frequencies arena. The design has introduced a dielectric substrate as a host with metallic parts. The proposed design is predicted to provide the electromagnetic band gap characterization with desired reiterative characteristic parameters, negative permittivity, and negative permeability exhibiting a double negative left-handed region, which is identified with the X-band regime with good agreement between the simulated and the measured results.
PubDate: Tue, 28 Feb 2017 09:40:51 +000
- Experimental Study on Ferromagnetic Shunt Effects on the Critical Current
of BSCCO Tape in Stacked Conductors
Abstract: In the 200 m high temperature superconducting (HTS) cable test facility at Chubu University constructed in 2010, a three-layer structure of the tapes in the cable is employed for obtaining the high current capacity up to 2 kA. Previous study shows that the critical current is affected by the layout of the tapes such as gaps and the current feeding mode. In the stacked tape conductors, the critical current of BSCCO tapes shows strong dependence on the current feeding directions between the tapes. The critical current is improved when the opposite-direction current is applied to them and degraded for the same-direction current feeding mode because of strong magnetic field interaction between them from the transport current in each tape. This paper presents the measurements of the critical currents of a BSCCO tape in the stacked conductors with the ferromagnetic materials. By using the ferromagnetic materials surrounding the tapes, self-field of HTS tapes is affected and their critical currents are improved by more than 10%. Ferromagnetic shunt effects on the critical current of HTS tape are reported through the magnetic field analysis.
PubDate: Mon, 27 Feb 2017 08:41:55 +000
- Magnetoresistance Effect in NiFe/BP/NiFe Vertical Spin Valve Devices
Abstract: Two-dimensional (2D) layered materials such as graphene and transition metal dichalcogenides are emerging candidates for spintronic applications. Here, we report magnetoresistance (MR) properties of a black phosphorus (BP) spin valve devices consisting of thin BP flakes contacted by NiFe ferromagnetic (FM) electrodes. The spin valve effect has been observed from room temperature to 4 K, with MR magnitudes of 0.57% at 4 K and 0.23% at 300 K. In addition, the spin valve resistance is found to decrease monotonically as temperature is decreased, indicating that the BP thin film works as a conductive interlayer between the NiFe electrodes.
PubDate: Sun, 26 Feb 2017 06:18:13 +000
- Low Temperature Conductivity in -Type Noncompensated Silicon below
Abstract: We investigate the transport properties of -type noncompensated silicon below the insulator-metal transition by measuring the electrical and magnetoresistances as a function of temperature for the interval 2–300 K. Experimental data are analyzed taking into account possible simple activation and hopping mechanisms of the conductivity in the presence of two impurity bands, the upper and lower Hubbard bands (UHB and LHB, resp.). We demonstrate that the charge transport develops with decreasing temperature from the band edge activation (110–300 K) to the simple activation with much less energy associated with the activation motion in the UHB (28–90 K). Then, the Mott-type variable range hopping (VRH) with spin dependent hops occurs (5–20 K). Finally, the VRH in the presence of the hard gap (HG) between LHB and UHB (2–4 K) takes place. We propose the empiric expression for the low density of states which involves both the UHB and LHB and takes into account the crossover from the HG regime to the Mott-type VRH with increasing temperature. This allows us to fit the low experimental data with high accuracy.
PubDate: Tue, 14 Feb 2017 06:09:42 +000
- Mesoporous SnO2 Nanowires: Synthesis and Ethanol Sensing Properties
Abstract: The mesoporous SnO2 nanowires composed of nanoparticles and nanopores have been successfully synthesized within the nanochannels of anodic alumina oxide templates by a facile sol-gel method. XRD, SEM, and HRTEM were used to characterize the synthesized mesoporous SnO2 nanowires. The sensing property of the mesoporous SnO2 nanowires in ethanol detection also has been studied. The as-prepared product displays excellent the high sensitivity, rapid response, and excellent repeatability to ethanol. The detection limit of the mesoporous SnO2 nanowires to ethanol reaches 1 ppm. The sensing mechanism of the mesoporous SnO2 nanowires has been further discussed. It is expected that the mesoporous SnO2 nanowires might become a good sensing material for promising industrial applications.
PubDate: Tue, 14 Feb 2017 00:00:00 +000
- Snowflake-Shaped ZnO Nanostructures-Based Gas Sensor for Sensitive
Detection of Volatile Organic Compounds
Abstract: Volatile organic compounds (VOCs) have been considered severe risks to human health. Gas sensors for the sensitive detection of VOCs are highly required. However, the preparation of gas-sensing materials with a high gas diffusion performance remains a great challenge. Here, through a simple hydrothermal method accompanied with a subsequent thermal treatment, a special porous snowflake-shaped ZnO nanostructure was presented for sensitive detection of VOCs including diethyl ether, methylbenzene, and ethanol. The fabricated gas sensors exhibit a good sensing performance including high responses to VOCs and a short response/recovery time. The responses of the ZnO-based gas sensor to 100 ppm ethanol, methylbenzene, and diethyl ether are about 27, 21, and 11, respectively, while the response times to diethyl ether and methylbenzene are less than 10 seconds. The gas adsorption-desorption kinetics is also investigated, which shows that the gas-sensing behaviors to different target gases are remarkably different, making it possible for target recognition in practical applications.
PubDate: Tue, 07 Feb 2017 00:00:00 +000
- Microstructure and Magnetic Properties of NdFeB Films through Nd Surface
Abstract: Ta/Nd/NdFeB/Nd/Ta films were deposited by magnetron sputtering on Si (100) substrates and subsequently annealed for 30 min at 923 K in vacuum. It was found that the microstructure and magnetic properties of Ta/Nd/NdFeB/Nd/Ta films strongly depend on the NdFeB layer thickness. With NdFeB layer thickness increasing, both the grain size and the strain firstly reduce and then increase. When NdFeB layer thickness is 750 nm, the strain reaches the minimum value. Meanwhile, both the in-plane and perpendicular coercivities firstly drastically increase and then slowly decrease with NdFeB layer thickness increasing. The highest in-plane and perpendicular coercivities can be obtained at NdFeB layer thickness of 750 nm, which are 21.2 kOe and 19.5 kOe, respectively. In addition, the high remanence ratio (remanent magnetization/saturation magnetization) of 0.87 can also be achieved in Ta/Nd/NdFeB (750 nm)/Nd/Ta film.
PubDate: Wed, 18 Jan 2017 00:00:00 +000
- An Improved Theoretical Approach to Study Electromagnetic Waves through
Fiber Bragg Gratings
Abstract: We show that using the theory of finite periodic systems we obtain an improved approach to calculate transmission coefficients and transmission times of electromagnetic waves propagating through fiber Bragg gratings. We discuss similarities, advantages, and differences between this approach and the well known less accurate one coupled mode approximation and the pseudo-Floquet Mathieu functions approach.
PubDate: Tue, 10 Jan 2017 00:00:00 +000
- Magnetothermopower in A2−xLaxFeMoO6 (A = Sr, Ba)
Abstract: A magnetothermopower has been observed in electronically spin-polarized polycrystalline and Ba2FeMoO6. The magnetothermopower is linear up to ~50 K for and linear up to ~270 K for Ba2FeMoO6. We suggest that the magnetothermopower may arise from a spin-tunneling magnetothermopower between the grains.
PubDate: Thu, 05 Jan 2017 11:03:28 +000
- Profile of a Faceted Macrostep Caused by Anomalous Surface Tension
Abstract: The height profile of a macrostep on a vicinal surface near equilibrium is studied numerically using a restricted solid-on-solid model with a point-contact-type step-step attraction (p-RSOS model). We calculate the surface tension of vicinal surfaces around the (001) surface inclined towards the direction using the density-matrix-renormalization group method. We also calculate the height profiles of vicinal surfaces using the Monte Carlo method and study the connection between the height profile of the macrostep near equilibrium and the discontinuous surface tension. We find that the height profile of a macrostep on a vicinal surface near equilibrium can be classified depending on the zone in the faceting diagram where the system exists. We also find finite size effects both for the height profile and for the inhibition of the macrostep motion in the relaxation process to the equilibrium state.
PubDate: Thu, 05 Jan 2017 09:42:48 +000
- Vibrational Spectroscopy of Binary Titanium Borides: First-Principles and
Abstract: Vibrational dynamics of binary titanium borides is studied from first-principles. Polarized and unpolarized Raman spectra of TiB, TiB2, and Ti3B4 are reported along with the experimental spectra of commercial powder and bulk TiB2 containing less than 1 wt.% of impurity phases. The X-ray diffraction spectroscopy, applied for phase composition examination of both bulk and powder materials, identifies only the TiB2 phase. The simulated Raman spectra together with literature data support interpretation and refinement of experimental spectra which reveal components arising from titanium dioxide (TiO2) and amorphous boron carbide (B4C) impurity phases as well as graphitic carbon. These contaminations are the by-products of synthesis, consolidation, and sintering aids employed to fabricate powder and bulk titanium diboride.
PubDate: Tue, 03 Jan 2017 12:08:22 +000
- Antimicrobial Efficacy and Cell Adhesion Inhibition of In Situ Synthesized
ZnO Nanoparticles/Polyvinyl Alcohol Nanofibrous Membranes
Abstract: Nanoparticle metal oxides are emerging as a new class of important materials in medical, agricultural, and industrial applications. In this context, free zinc oxide (ZnO) nanoparticles (NPs) have been increasingly shown with broad antimicrobial activities. However, biological properties of immobilized ZnO NPs on matrixes like nanofibrous membranes are still limited. In this study, in situ synthesized ZnO NPs/polyvinyl alcohol (PVA) nanofibrous membranes were fabricated by electrospinning with different zinc acetate concentrations. Characterization results indicated that, with 5 mM zinc acetate, uniform size ZnO NPs (~40 nm) were formed and evenly distributed on the membrane surface. The surfaces became more hydrophobic with higher concentration of zinc acetate. ZnO NPs/PVA nanofibrous membranes showed a broad spectrum of antimicrobial activities and cell adhesion inhibiting effects against four microorganisms including Gram-positive Staphylococcus aureus, Gram-negative Escherichia coli, fungi Candida albicans, and spores of Aspergillus niger. Our data revealed that the major antimicrobial mechanism could be attributed to cell membrane damage and cellular internalization of ZnO NPs, while the hydrophobic surface of the membrane primarily contributed to the cell adhesion inhibition. This study suggests that ZnO NPs/PVA nanofibrous membranes could potentially be used as an effective antimicrobial agent to maintain agricultural and food safety.
PubDate: Sun, 25 Dec 2016 14:22:32 +000
- Generation of Basis Vectors for Magnetic Structures and Displacement Modes
Abstract: Increasing attention is being focused on the use of symmetry-adapted functions to describe magnetic structures, structural distortions, and incommensurate crystallography. Though the calculation of such functions is well developed, significant difficulties can arise such as the generation of too many or too few basis functions to minimally span the linear vector space. We present an elegant solution to these difficulties using the concept of basis sets and discuss previous work in this area using this concept. Further, we highlight the significance of unitary irreducible representations in this method and provide the first validation that the irreducible representations of the crystallographic space groups tabulated by Kovalev are unitary.
PubDate: Wed, 14 Dec 2016 09:19:40 +000
- Perpendicular Giant Magnetoresistance and Magnetic Properties of Co/Cu
Nanowire Arrays Affected by Period Number and Copper Layer Thickness
Abstract: One-dimensional magnetic nanowires have attracted much attention in the last decades due to their unique physical properties and potential applications in magnetic recording and spintronics. In this work, ordered arrays of Co/Cu multilayered nanowires which can be exploited to develop magnetoresistive sensors were successfully prepared using porous anodic alumina (PAA) templates. The structure and morphology of the multilayered nanowire arrays were characterized by transmission electron microscopy and scanning electron microscopy. The nanowire arrays are highly ordered and the average diameter is about 50 nm, which is controlled by the pore diameter of the PAA templates. The influences of period number and Cu layer thickness on the magnetic and the giant magnetoresistance (GMR) properties were investigated. The coercivity and remanence ratio increase first and then gradually tend to be stable with the increase of period number and the Cu layer thickness, while the GMR ratio increases first and then decreases with the increase of the period number accompanied by an oscillatory behavior of GMR as the Cu layer thickness changes, which are ascribed to the spin dependence electron scattering in the multilayers. The optimum GMR of −13% appears at Co (50 nm)/Cu (5 nm) with 200 deposition cycles in our experimental conditions.
PubDate: Tue, 13 Dec 2016 08:32:55 +000
- Ultrasensitive Anomalous Hall Effect in Ta/CoFe/Oxide/Ta Multilayers
Abstract: Ultrahigh anomalous Hall sensitivity has been demonstrated in Ta/CoFe/Oxide/Ta multilayers. By changing oxides (MgO and HfO2) and annealing temperature, different annealing dependence of sensitivity was found in MgO-sample and HfO2-sample. For the MgO-sample, the anomalous Hall sensitivity reaches 18792 Ω/T in the as-deposited state and significantly reduces as annealing temperature increases. On the contrary, the sensitivity of the as-deposited HfO2-sample is only 765 Ω/T, while it remarkably increases with annealing temperature increasing, finally reaching 14741 Ω/T at 240°C. The opposite variation of anomalous sensitivity in two samples originates from the different change of magnetic anisotropy and anomalous Hall resistance during the annealing process. Our study provides a new perspective that both the choice of oxide material and the optimization of annealing treatment are important to the anomalous Hall sensitivity.
PubDate: Tue, 13 Dec 2016 06:39:06 +000
- Theoretical Study of Upper Critical Magnetic Field () in Multiband Iron
Abstract: This research work focuses on the theoretical investigation of the upper critical magnetic field, ; Ginzburg-Landau coherence length, ; and Ginzburg-Landau penetration depth, , for the two-band iron based superconductors , , and LiFeAs. By employing the phenomenological Ginzburg-Landau (GL) equation for the two-band superconductors , , and LiFeAs, we obtained expressions for the upper critical magnetic field, ; GL coherence length, ; and GL penetration depth, , as a function of temperature and the angular dependency of upper critical magnetic field. By using the experimental values in the obtained expressions, phase diagrams of the upper critical magnetic field parallel, , and perpendicular, , to the symmetry axis (-direction) versus temperature are plotted. We also plotted the phase diagrams of the upper critical magnetic field, versus the angle . Similarly, the phase diagrams of the GL coherence length, , and GL penetration depth, , parallel and perpendicular to the symmetry axis versus temperature are drawn for the superconductors mentioned above. Our findings are in agreement with experimental observations.
PubDate: Mon, 05 Dec 2016 08:30:18 +000
- Short Time and Low Temperature Reaction between Metal Oxides through
Microwave-Assisted Hydrothermal Method
Abstract: This work demonstrates the possibility of synthesis of cadmium tungstate at low temperatures using oxide precursors. Cadmium tungstate (CdWO4) scintillator was produced via microwave-assisted hydrothermal reaction using the precursors CdO and WO3. The methodology was based on microwave radiation for heating, which is remarkably faster than the solid-state route or conventional hydrothermal procedure. CdWO4 monoclinic (wolframite) structure was successfully obtained at 120°C for synthesis times as short as 20 min. This route does not require the use of templates or surfactants and yields self-assembled nanorods with size of around 24 ± 9 nm width and 260 ± 47 nm length. The growth mechanism for the formation of CdWO4 involves microwave-induced dissociation of the reagents and solvation of Cd2+ and ions, which are free to move and start the nucleation process. The luminescence properties of the produced nanoparticles were investigated, presenting a broad emission band at around 500 nm, which is comparable to that observed for samples produced using other chemical routes. This result highlights the great potential of the proposed method as a low-cost and time saving process to fabricate luminescent oxide nanoparticles.
PubDate: Wed, 30 Nov 2016 12:29:44 +000
- High Field Linear Magnetoresistance Sensors with Perpendicular Anisotropy
L10-FePt Reference Layer
Abstract: High field linear magnetoresistance is an important feature for magnetic sensors applied in magnetic levitating train and high field positioning measurements. Here, we investigate linear magnetoresistance in Pt/FePt/ZnO/Fe/Pt multilayer magnetic sensor, where FePt and Fe ferromagnetic layers exhibit out-of-plane and in-plane magnetic anisotropy, respectively. Perpendicular anisotropy L10-FePt reference layer with large coercivity and high squareness ratio was obtained by in situ substrate heating. Linear magnetoresistance is observed in this sensor in a large range between +5 kOe and −5 kOe with the current parallel to the film plane. This L10-FePt based sensor is significant for the expansion of linear range and the simplification of preparation for future high field magnetic sensors.
PubDate: Wed, 02 Nov 2016 13:37:57 +000
- Large-Signal DG-MOSFET Modelling for RFID Rectification
Abstract: This paper analyses the undoped DG-MOSFETs capability for the operation of rectifiers for RFIDs and Wireless Power Transmission (WPT) at microwave frequencies. For this purpose, a large-signal compact model has been developed and implemented in Verilog-A. The model has been numerically validated with a device simulator (Sentaurus). It is found that the number of stages to achieve the optimal rectifier performance is inferior to that required with conventional MOSFETs. In addition, the DC output voltage could be incremented with the use of appropriate mid-gap metals for the gate, as TiN. Minor impact of short channel effects (SCEs) on rectification is also pointed out.
PubDate: Wed, 26 Oct 2016 09:31:23 +000
- Renormalized Phonon Microstructures at High Temperatures from
First-Principles Calculations: Methodologies and Applications in Studying
Strong Anharmonic Vibrations of Solids
Abstract: While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation, at high temperatures, this understanding must accommodate how phonons interact with other phonons or with other excitations. To date the anharmonic lattice dynamics is poorly understood despite its great importance, and most studies still rely on the quasiharmonic approximations. We shall see that the phonon-phonon interactions give rise to interesting coupling problems and essentially modify the equilibrium and nonequilibrium properties of materials, for example, thermal expansion, thermodynamic stability, heat capacity, optical properties, thermal transport, and other nonlinear properties of materials. The review aims to introduce some recent developements of computational methodologies that are able to efficiently model the strong phonon anharmonicity based on quantum perturbation theory of many-body interactions and first-principles molecular dynamics simulations. The effective potential energy surface of renormalized phonons and structures of the phonon-phonon interaction channels can be derived from these interdependent methods, which provide both macroscopic and microscopic perspectives in analyzing the strong anharmonic phenomena while the traditional harmonic models fail dramatically. These models have been successfully performed in the studies on the temperature-dependent broadenings of Raman and neutron scattering spectra, high temperature phase stability, and negative thermal expansion of rutile and cuprite structures, for example.
PubDate: Wed, 19 Oct 2016 07:23:26 +000
- Determination of the Density of Energy States in a Quantizing Magnetic
Field for Model Kane
Abstract: For nonparabolic dispersion law determined by the density of the energy states in a quantizing magnetic field, the dependence of the density of energy states on temperature in quantizing magnetic fields is studied with the nonquadratic dispersion law. Experimental results obtained for PbTe were analyzed using the suggested model. The continuous spectrum of the energy density of states at low temperature is transformed into discrete Landau levels.
PubDate: Sun, 16 Oct 2016 10:05:09 +000
- A Simple Free Energy for the Isotropic-Nematic Phase Transition of Rods
Abstract: A free energy expression is proposed that describes the isotropic-nematic binodal concentrations of hard rods. A simple analytical form for this free energy was yet only available using a Gaussian trial function for the orientation distribution function (ODF), leading, however, to a significant deviation of the predicted binodals. The new free energy proposed here is based upon a rationalized correction to the orientational and packing entropies when using the Gaussian ODF. In combination with Parsons-Lee theory or scaled particle theory, it enables describing the isotropic-nematic phase coexistence concentrations of rods accurately using the simple Gaussian ODF for a wide range of aspect ratios.
PubDate: Tue, 11 Oct 2016 10:03:40 +000
- Micromagnetic Simulation of Strain-Assisted Current-Induced Magnetization
Abstract: We investigated the effect of substrate misfit strain on the current-induced magnetization switching in magnetic tunnel junctions by combining micromagnetic simulation with phase-field microelasticity theory. Our results indicate that the positive substrate misfit strain can decrease the critical current density of magnetization switching by pushing the magnetization from out-of-plane to in-plane directions, while the negative strain pushes the magnetization back to the out-of-plane directions. The magnetic domain evolution is obtained to demonstrate the strain-assisted current-induced magnetization switching.
PubDate: Thu, 22 Sep 2016 13:45:40 +000
- Pressure Prediction of Electronic, Anisotropic Elastic, Optical, and
Thermal Properties of Quaternary (M2/3Ti1/3)3AlC2 (M = Cr, Mo, and Ti)
Abstract: The electronic, mechanical, anisotropic elastic, optical, and thermal properties of quaternary (M2/3Ti1/3)3AlC2 (M = Cr, Mo, and Ti) under different pressure are systematically investigated by first-principles calculations. The bonding characteristics of these compounds are the mixture of metallic and covalent bonds. With an increase of pressure, the heights of total density of states (TDOS) for these compounds decrease at Fermi level. The highest volume compressibility among three compounds is Mo2TiAlC2 for its smallest relative volume decline. The relative bond lengths are decreasing when the pressure increases. The bulk and shear modulus of the one doped with Cr or Mo are larger than those of Ti3AlC2 with pressure increasing. With an increase of pressure, the anisotropy of these compounds also increases. Moreover, Mo2TiAlC2 has the biggest anisotropy among the three compounds. The results of optical functions indicate that the reflectivity of the three compounds is high in visible-ultraviolet region up to ~10.5 eV under ambient pressure and increasing constantly when under pressure. Mo2TiAlC2 has the highest loss function. The calculated sound velocity and Debye temperature show that they all increase with pressure. of the three compounds is also calculated.
PubDate: Mon, 19 Sep 2016 07:32:54 +000
- Electronic and Magnetic Properties Studies on Mn and Oxygen Vacancies
Codoped Anatase TiO2
Abstract: The electronic and magnetic properties of Mn and oxygen vacancies codoped anatase TiO2 were investigated. The calculated results showed that the TiO2 codoped with Mn and oxygen vacancies have a magnetic moment value of 3.415 per Ti31MnO63 supercell. Furthermore, Ti31MnO63 gets the lowest energy with a geometrical optimization where the Mn ions locate at the nearest-neighbor sites of the oxygen vacancy. And experimental results indicated the magnetism is associated with the defects of Mn ions and oxygen vacancies induced by the Mn doping, which is consistent with the calculation results.
PubDate: Sun, 18 Sep 2016 11:47:27 +000