Comparison of the structural,electronic and magnetic properties of Fe,Co and Ni nanowires encapsulated into silicon carbide nanotube

A similar optimized structure, i.e. a near square cross-section shape for outside nanotube and a relative rotation between nanowire and its outside nanotube, is obtained for the transition-metal M₁₃ (M = Fe, Co, Ni) nanowires with the FCC structure encapsulated inside the armchair (8, 8) silicon carbide nanotube [ M₁₃@(8, 8)] . It is also found that the stabilities of M₁₃ nanowires are enhanced by silicon carbide nanotube encapsulation. Although the spin polarization P of each hybrid system is slightly lowered with respect to the corresponding free-standing nanowire, the largest spin polarization value 71% of Co₁₃@(8, 8) among the three hybrid systems suggests it could be utilized to construct efficient spin transport devices. As compared with the corresponding free-standing nanowire, the magnetic moments μ₁ and μ₂ for the peripheral M₁ (especially) and M₂ atoms are decreased, while the magnetic moments μ₃ and μ₄ for the interior M₃ and M₄ atoms are increased for each M₁₃@(8, 8) hybrid system. In particular, different from the bulk FCC Fe that is antiferromagnetic, the minimum energy magnetic structure of FCC Fe₁₃ free-standing nanowire is ferromagnetic. Furthermore, contrary to the cases of Co₁₃ and Ni₁₃ nanowires, the ferromagnetism is further enhanced after Fe₁₃ nanowire is encapsulated inside (8, 8) silicon carbide nanotube.     

Ab initio study of iron nanowires encapsulated inside silicon nitride nanotubes

In the present paper, the iron nanowires (containing single Fe atomic chain and Fe_n nanowire (n=5, 9 and 13)) encapsulated in (8,8) silicon nitride nanotubes (SiNNTs) have been investigated systematically using the first-principles within GGA. For the pristine (8,8) SiNNT, a ferromagnetic ground state is more favorable, and the semiconducting character is observed. After single Fe atom chain encapsulated inside (8,8) SiNNT, two possible configurations are determined depending on the distance from the wire to the tubewall. Furthermore, these two configurations keep high spin-dependent transport and thus can be used in spintronics devices. As for the Fe_n nanowires encapsulated in (8,8) SiNNTs (Fe_n@(8,8)), the spin-dependent transport are badly disturbed, but the stabilities of metal wires are reinforced in Fe_n@(8,8) systems. In particular, an enhanced ferromagnetism is observed after the Fe₁₃ nanowire encapsulated into the (8,8) SiNNT. The results suggest that the Fe_n@(8,8) systems can be used in the magnetic storage industries.     

Structural,electronic and magnetic properties of hcp Fe,Co and Ni nanowires encapsulated in zigzag carbon nanotubes

The structural, electronic and magnetic properties of hcp transition metal (TM = Fe, Co or Ni) nanowires TM₄ encapsulated inside zigzag nanotubes C(m, 0) (m = 7, 8, 9, 10, 11 or 12), along with TM _n (n = 4, 10 or 13) encapsulated inside C(12, 0), have been systematically investigated using the first-principle calculations. The results show that the TM nanowires can be inserted inside a variety of zigzag carbon nanotubes (CNTs) exothermically, except from the systems TM₄@(7, 0) and TM₁₃@(12, 0) which are endothermic. The charge is transferred from TM nanowires to CNTs, and the transferred charge increases with decreasing CNT diameter or increasing nanowire thickness. The magnetic moments of hybrid systems are smaller than those of the freestanding TM nanowires, especially for the atoms on the outermost shell of the nanowires. The magnetic moment per TM atom of TM/CNT system increases with increasing CNT diameter or decreasing nanowire thickness. Both the density of states and spin charge density analysis show that the spin polarization and the magnetic moments of all hybrid systems mainly originate from the TM nanowires, implying these systems can be applied in magnetic data storage devices.     

Structural and electronic properties of copper nanowire encapsulated into BeO nanotube: First-principles study

We present a systematic study on the structural and electronic properties of close-packed Cu nanowires encapsulated in a series of zigzag (n,0) BeONTs using first-principles calculations. The initial shapes (cylindrical CuNWs and BeONTs) are preserved without any visible changes for the Cu_m@(n,0) (m=6 or 8, 8≤n≤14) combined systems. The most stable combined systems are Cu₆@(10,0) and Cu₈@(11,0) with an optimal tube-wire distance of about 2.8 Å and a simple superposition of the band structures of their components near the Fermi level. A quantum conductance of 3G₀ is obtained for both Cu₆ and Cu₈ nanowires in either free-standing state or filled into BeONTs. The electron transport will occur only through the inner CuNW and the inert outer BeONT serves well as insulating cable sheath. So the Cu₆@(10,0) and Cu₈@(11,0) combined systems is top-priority in the ULSI circuits and MEMS devices that demand steady transport of electrons.     

Wetting and interfacial adsorption in the Blume-Capel model on the square lattice

The structural and electronic properties of Cu_5-1 and Cu_6-1 nanowires with core-shell structures encapsulated inside a series zigzag (n,0) BeONTs denoted by Cu_5-1@(n,0) and Cu_6-1@(n,0) are investigated using the first-principles calculations within the generalized-gradient approximation. For Cu_5-1@(n,0) (10 ? n ? 17) and Cu_6-1@(n,0) (11 ? n ? 18) combined systems, the initial shapes (cylindrical BeONTs and CuNWs) are preserved without any visible change after optimization. The quantum conductances 5G ₀ and 6G ₀ of the most stable Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are identical to the corresponding free-standing Cu_5-1 and Cu_6-1 nanowires, respectively. The energy bands crossing the Fermi level in both the Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are all originated from the inner CuNWs. Therefore the electron transport will occur only through the inner CuNWs and the outer inert BeONTs serves well as an insulating cable sheath. The robust quantum conductance of the Cu_5-1 and Cu_6-1 nanowires, the insulating protection character of the (12,0) and (13,0) BeONTs and the highest stability of the tube-wire combined systems make the Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are top-priority in the ULSI circuits and MEMS devices that demand steady transport of electrons.     

First-principles study on structural and electronic properties of copper nanowire encapsulated into GaN nanotube

We present a systemic study of the structural and electronic properties of Cu_n nanowires (n=5, 9 and 13) encapsulated in armchair (8,8) gallium nitride nanotubes (GaNNTs) using the first-principles calculations. We find that the formation processes of these systems are all exothermic. The initial shapes are preserved without any visible changes for the Cu₅@(8,8) and Cu₉@(8,8) combined systems, but a quadratic-like cross-section shape is formed for the outer nanotube of the Cu₁₃@(8,8) combined system due to the stronger attraction between nanowire and nanotube. The electrons of Ga and N atoms in outer GaN sheath affect the electron conductance of the encapsulated metallic nanowire in the Cu₁₃@(8,8) combined system. But in the Cu₅@(8,8) and Cu₉@(8,8) combined systems, the conduction electrons are distributed only on the copper atoms, so charge transport will occur only in the inner copper nanowire, which is effectively insulated by the outer GaN nanotube. Considering the maximal metal filling ratio in nanotube, we know that the Cu₉@(8,8) combined system is top-priority in the ultra-large-scale integration (ULSI) circuits and micro-electromechanical systems (MEMS) devices that demand steady transport of electrons.     

Magnetism of Fe,Co, and Ni nanowires encapsulated in carbon nanotubes

We have investigated the electronic and magnetic properties of Fe, Co, and Ni nanowires encapsulated in carbon nanotubes (CNTs) using spin polarized ab initio calculation. The incorporated systems with hollow region between the nanowire and the C shell have the enhanced magnetic moments compared to the ferromagnetic nanowires tightly wrapped by CNTs. The Co nanowire encapsulated in CNTs is a strong ferromagnet and has high spin polarization regardless of the distance between the nanowire and the C shell. The results show that the Co-filled CNTs are useful for spin polarized transport nanodevice.     

Dual behaviors of magnetic CoxFe1−x (0≤x≤1) nanowires embedded in nanoporous with different diameters

Co_xFe_1−x nanowire arrays with various diameters and different composition were fabricated by ac electrodeposition using porous alumina template. Coercivity along the easy axis reaches to a maximum at 2330 Oe, for Co_xFe_1−x nanowires containing about 40 at% Co. The crystalline structure of the nanowires was concentration-independent and shows a bcc structure. The critical diameter for transition from coherent rotation to curling mode is 35 nm for CoFe containing less than 40 at% Co while it is 30 nm for those with more than 40 at% Co. Optimizing the magnetic properties of CoFe with different Co content was seen to be dependent on the diameter of nanowires. For 25 nm diameter, the optimum was shown below 50 at% Co while it was seen above 50 at% for nanowires with 50 nm diameter. The angular dependence of the coercivity with nanowires diameter were also studied.     

Half-metallicity in Fe-based Heusler alloys Fe2TiZ (Z = Ga,Ge, As,In, Sn and Sb)

The electronic structure and magnetic properties of new Fe-based Heusler alloys Fe₂TiZ (Z = Ga, Ge, As, In, Sn and Sb) have been studied by first-principles calculations. In these alloys, the 24-electron Fe₂TiGe, Fe₂TiSn are nonmagnetic semiconductors and other compounds are all ferrimagnetic metals. Fe₂TiAs and Fe₂TiSb are predicted to be half-metals with 100% spin polarization. The spin polarization ratio in Fe₂TiGa and Fe₂TiIn is also quite high. The calculated total moment for Fe₂TiAs and Fe₂TiSb is 1 μ_B, which is mainly determined by the Fe partial moment. The half-metallicity of Fe₂TiSb is stable under lattice distortion. The spin polarization of Fe₂TiSb is found to be 100% for the lattice variation in a range of 5.6–6.1 Å, which is attractive in practical applications.     

Synthesis and characterization of electrodeposited permalloy (Ni80Fe20)/Cu multilayered nanowires

Permalloy (Ni₈₀Fe₂₀)/Cu multilayered nanowires (NWs) were electrodeposited using a template directed method from sulfate baths via pulse potential technique. Microstructures and compositions of the nanowires were characterized using various microscopy and spectroscopy techniques. To synthesize compositionally uniform nanowires with high efficiency, new sulfate baths with a high content of Ni²⁺ were developed. The effects of deposition potential and concentration of metal ions were optimized to reduce composition inhomogeneity and incorporation of copper in the permalloy layers. Composition of the NiFe layers was found to be close to 20 at% Fe with a maximum of 5 at% Cu. TEM analysis indicated that individual nanowires exhibit distinct and coherent layering structure with rough and wavy interfaces. A synthesized single nanowire was also AC dielectrophoretically assembled across the microfabricated gold electrodes for subsequent magnetoresistance measurements.     

Effect of boron concentration on the magnetic properties of (FeCoNi) 100−xBx (x=15 and 20 wt%) nanowire arrays

The Fe_14.5Co_16.5Ni₅₅B₁₅ and the Fe₁₃Co_15.5Ni_51.5B₂₀ ferromagnetic nanowires were deposited using the electrochemical deposition method. The structure of these nanowires was investigated using X-ray diffraction. Squid magnetometer was used to investigate the magnetic behavior. The hysteresis loops of 50 μm long nanowire arrays were studied as a function of boron concentration, nanowire diameter and field orientation. The competition between shape anisotropy and magnetostatic interactions played a vital role in determining the magnetic field necessary to saturate an array. The decrease in coercive field (H_c) and the squareness (SQ) of the hysteresis loop from 100 to 200 nm wire diameter for both types of compositions suggests the formation of multidomains in the nanowire.     

FePd melt-spun ribbons and nanowires: Fabrication and magneto-structural properties

Fe-30%Pd alloys in ribbon and nanowire geometry have been prepared. Ribbon samples were produced by the melt-spinning technique in the Ar environment. FePd nanowires, having about 35 nm in diameter, 105 nm inter-nanowires distance and around 4 μm in length, were synthesized into nanoporous anodic alumina membranes as templates. Energy dispersive X-ray microanalysis of ribbons shows an average atomic composition of Fe (73.2%) and Pd (26.8%). The X-ray diffraction at RT analysis was performed on both surfaces, free and wheel side, of the melt-spun ribbon. It shows the coexistence of two phases: fct and bct FePd, but with differences between both surfaces consisting the existence of Fe oxides (Fe₂O₃ and Fe₃O₄) and a textured 200 reflection in the free side. Heating and cooling thermomagnetic curves exhibit a reversible behaviour from RT to 720 K, but around 770 K a clear irreversible transformation takes place.     

Fabrication and magnetic properties of Fe3O4 nanowire arrays in different diameters

Fe₃O₄ nanowire arrays with different diameters of D=50, 100, 150 and 200 nm were prepared in anodic aluminum oxide (AAO) templates by an electrodeposition method followed by heat-treating processes. A vibrating sample magnetometer (VSM) and a Quantum Design SQUID MPMS magnetometer were used to investigate the magnetic properties. At room temperature the nanowire arrays change from superparamagnetism to ferromagnetism as the diameter increases from 50 to 200 nm. The zero-field-cooled (ZFC) and field-cooled (FC) magnetization measurements show that the blocking temperature T_B increases with the diameter of nanowire. The ZFC curves of D=50 nm nanowire arrays under different applied fields (H) were measured and a power relationship between T_B and H were found. The temperature dependence of coercivity below T_B was also investigated. Mössbauer spectra and micromagnetic simulation were used to study the micro-magnetic structure of nanowire arrays and the static distribution of magnetic moments of D=200 nm nanowire arrays was investigated. The unique magnetic behaviors were interpreted by the competition of the demagnetization energy of quasi-one-dimensional nanostructures and the magnetocrystalline anisotropy energy of particles in nanowires.     

Electromagnetic wave absorption properties of Fe3C/carbon nanocomposites prepared by a CVD method

Dendrite-shaped iron nanowires with 50-200 nm in diameter and 10-20 μm in length were prepared by the CVD method from Fe(CO)₅ as a starting source. Ethanol was cracked on the surface of the resultant iron nanowires to form the Fe₃C/carbon nanocomposites, in which nanosized carbon beads covered the surface of Fe₃C. Resin compact of the resultant Fe₃C/carbon nanocomposites had excellent electromagnetic wave absorption ability in the range of 0.9-9.0 GHz, and such available absorption range more enhanced compared to that observed on the resin compact prepared from the original iron nanowires by the hybridization of magnetic (Fe₃C) and dielectric (carbon) materials.     

Vacancy-induced spin-glass behavior of Prussian blue analogue Fe1.1Crx[Cr (CN)6]0.6−x·nH2O nanowires

Prussian blue analogue Fe^II_1.1Cr^II_x[Cr^III(CN)₆]_0.6−x·nH₂O nanowires were synthesized by electrodeposition. The magnetic properties investigation indicates that the nanowires exhibit cluster spin-glass behavior, which undergoes a magnetic transition to a frozen state below about 62 K. Spin disorder arising from reduced coordination and broken exchange bonds between spin centers due to the structural defects may be the reason that causes the spin-glass freezing behavior. The negative magnetization observed at temperature lower than the compensation temperature (T_comp∼43 K) at a field of 10 Oe may be due to the different temperature dependences of the ferromagnetic site Fe-Cr and antiferromagnetic site Cr-Cr.     

Verwey transition in spin polarization of field-emitted electrons from 〈1 1 0〉-oriented single crystal magnetite whisker

We measured temperature dependence of a spin polarization of field-emitted electrons from a single-crystalline magnetite (Fe₃O₄) whisker with 〈1 1 0〉 orientation. The spin polarization of emitted electrons began to increase above 130 K corresponding to the temperature of Verwey point (T_v). The increase is considered as reflection of the change of the spin state near the Fermi level due to the Verwey transition. Our experimental results support a localization of t_2g orbital electrons below the Verwey point and a model of charge ordering for magnetite.     

Hydrothermal-induced oriented growth of Fe–Co alloy and Sm-substituted magnetite nanowire composites

Fe–Co alloy and Sm³⁺-substituted magnetite nanowire composites (Co_xFe_1−x/Co_yFe_1−ySm_zFe_2−zO₄) have been synthesized via a hydrothermal method without using surfactants or templates. The effects of substitution on structure and morphology were investigated by powder X-ray diffraction, X-ray photoelectron spectroscopy, Mössbauer spectroscopy, and transmission electron microscopy (TEM). The TEM image shows that the average diameter of the magnetite nanowires is about 40 nm and the length is several micrometers. The z=0.1 composite shows relatively high saturation magnetization (92.3 emu/g) detected by a vibrating sample magnetometer. The possible growth mechanism of the nanowires is discussed on the basis of the crystal structure of the materials. From the perspective of thermodynamics, we explain the postulated mechanism of the hydrothermal reaction.     

Effect of low-valent atom substitution on electronic structure and magnetic properties of Fe1.5M0.5CoSi (M=V, Cr, Mn, Fe) Heusler alloys

Quaternary Heusler alloys Fe_1.5M_0.5CoSi with M=V, Cr, Mn and Fe have been investigated theoretically and experimentally. All of these samples crystallize in the ordered Heusler-type structure. The calculated electronic structure shows a pseudogap around E_F in the minority spin states of Fe₂CoSi. With the substitution of low-valent atoms for Fe, the majority antibonding peak is shifted to higher energy and a minority gap around the Fermi level is opened. High spin polarization ratio is obtained in Fe_1.5M_0.5CoSi (M=V, Cr, Mn) alloys. The calculated total spin moments decrease with decreasing number of valence electrons and follow the Slater-Pauling curve, which agree with the experimental results well. The Curie temperature decreases as M atom varies from Fe to V, but is always higher than 650 K, which is suitable for technical applications.     

Magnetic properties of Fe0.95Pd0.05 nanowire arrays

Fe_0.95Pd_0.05 nanowires were fabricated by the electrodeposition in porous anodic aluminum oxide templates and post-annealed at 300–700 °C. Transmission electron microscopy observations demonstrated the isolated nanowires to have polycrystalline structure. Magnetic measurements, however, showed improvement of both coercivity and squareness with the addition of 5 at% Pd in the Fe nanowires as well as proper annealing temperatures of about 500 °C.     

Structure and magnetic properties of Fe96−x Zr x B4 nanowire arrays

Fe96-xZrx B4(1相似文献