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Committees: National Conference on Physics and Chemistry of Materials (NCPCM 2020) 全国材料物理化学会议(NCPCM 2020)
Pub Date : 2021-01-01 DOI: 10.1063/12.0005922
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引用次数: 0
Thermodynamic properties of the t-J-U model in the context of high-Tc cuprates 高温铜酸盐环境下t-J-U模型的热力学性质
Pub Date : 2021-01-01 DOI: 10.1063/5.0061758
C. Tarafdar, Krishanu Roy, N. K. Ghosh
Some thermodynamic properties of the high-Tc cuprates have been studied using t-J-U model at different doping () by an exact method on a tilted square cluster. Low temperature specific heat curves show single-peak structure where the peak-height decreases with increasing . The system becomes more disordered with decreasing hole occupancy. The extrapolation of all reciprocal susceptibility (χ-1) curves intercept at a negative temperature ΘN which suggests an antiferromagnetic correlation in the system.
采用t-J-U模型,在倾斜方形簇上精确地研究了不同掺杂条件下高tc铜酸盐的热力学性质。低温比热曲线呈单峰结构,峰高随增大而减小。随着孔占比的减小,系统的无序性也随之增强。所有互易磁化率的外推(χ-1)曲线在负温度处截距ΘN,这表明系统中存在反铁磁相关。
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引用次数: 1
Crystal structure, dielectric and magnetic properties of BaTiO3-CoFe2O4 multiferroic composites BaTiO3-CoFe2O4多铁复合材料的晶体结构、介电性能和磁性能
Pub Date : 2021-01-01 DOI: 10.1063/5.0060825
Meenal, S. Sanghi, A. Agarwal, E. Arya, A. Kumari, Vibha, Tanvi Bhasin, M. Yadav
Multiferroics composites (BaTiO3)x-(CoFe2O4)1-x (x=0.00 and 0.10) were synthesized via solid-state reaction. Structural properties of the samples were studied by using X-ray diffraction technique at room temperature. XRD patterns confirmed the existence of tetragonal phase with P4mm space group for BaTiO3 and cubic phase with Fd3m space group for CoFe2O4, respectively. By using Rietveld refinement of XRD data verified that both phases are present without any secondary peak. The variation of tangent loss (tanδ) and dielectric constant (εʹ) was studied as a function of frequency in the range of 100Hz to 7MHz at room temperature. The dispersive behavior of both εʹ and tanδ show at lower frequency region but at higher frequency region it remains constant. M-H loop was measured at room temperature that shows the magnetic behavior of composites. INTRODUCTION Multiferroics represent an interesting class of multifunctional materials that carry several ferroic orders simultaneously. Multiferroics composites are materials in which both ferroelectricity and ferromagnetism both exist and this result into a new phenomenon called “Magnetoelectric Effect”. The first multiferroic composite of barium titanate (BaTiO3) and cobalt ferrite (CoFe2O4) was studied by Boomgard et al. in 1974. Recently, these ME composite have become very interesting for their fundamental physics and attractive for various applications such as spintronics, multiple state memories, sensors etc. Above room temperature, single phase ME materials has limited applications because of weak ME effect. Alternatively, piezoelectric/ferrites composite have large ME effect because of their high magnetostriction and piezoelectric coefficient in composites. [1-4]. Recently, multiferroics composite of barium titanate (BaTiO3) and ferrite (like CoFe2O4, NiFe2O4) are found to exhibit large ME response. Barium titanate (BaTiO3) is well known fundamental lead-free perovskite having ABO3 structure. The first perovskite oxide found to exhibit ferroelectric behavior was BaTiO3 in the early 1940’s. BaTiO3 exist rhombohedral, orthorhombic, tetragonal and cubic phase transistions.BaTiO3(BT) has relatively high Curie temperature TC=130 ̊C, the value of piezoelectric constant (d33= 260pC/N) and the order of resistivity (⁓109Ωcm) [5]. On the other hand, cobalt ferrite (CoFe2O4) shows cubic spinal structure having (AB2O4) perovskite structure. CoFe2O4(CFO) has good chemical stability, high coercivity and remanence, moderate saturation magnetization. In this paper, CFO chooses as a ferrite phase and BT as a ferroelectric phase to prepare magnetoelectric composites. To study crystal structure, dielectric and magnetic properties of xBaTiO3-(1-x)CoFe2O4 (x=0.00, 0.10) composites systematically. DETAILS OF EXPERIMENT Polycrystalline composite xBaTiO3-(1-x) CoFe2O4 (x=0.00, 0.10) were synthesized by soild state reaction method. Initially, an appropriate proportion of high purity Sigma Aldrich grade Ba2Co3,TiO2, Co3O4, and
采用固相反应合成了BaTiO3 x-(CoFe2O4)1-x (x=0.00和0.10)多铁性复合材料。采用室温x射线衍射技术对样品的结构性能进行了研究。XRD谱图证实了BaTiO3为P4mm空间群的四方相,CoFe2O4为Fd3m空间群的立方相。用Rietveld法对XRD数据进行细化,证实两相均存在,无二次峰。在100Hz ~ 7MHz范围内,研究了室温下正切损耗(tanδ)和介电常数(ε′)随频率的变化规律。ε′和tanδ的色散行为都表现在低频区,但在高频区保持不变。在室温下测量了复合材料的M-H环,显示了复合材料的磁性行为。多铁质材料是一类有趣的多功能材料,可同时携带多个铁序。多铁性复合材料是铁电性和铁磁性同时存在的材料,这导致了一种叫做“磁电效应”的新现象。1974年,Boomgard等人首次研究了钛酸钡(BaTiO3)和钴铁氧体(CoFe2O4)的多铁复合材料。近年来,这些ME复合材料因其基本物理特性而变得非常有趣,并在自旋电子学、多态存储器、传感器等各种应用中具有吸引力。室温以上,单相ME材料由于ME效应弱,应用受限。此外,由于压电/铁氧体复合材料具有较高的磁致伸缩和压电系数,因此具有较大的ME效应。[1 - 4]。近年来,钛酸钡(BaTiO3)和铁氧体(如CoFe2O4, NiFe2O4)的多铁复合材料表现出较大的ME响应。钛酸钡(BaTiO3)是众所周知的具有ABO3结构的基本无铅钙钛矿。在20世纪40年代早期发现的第一个表现出铁电行为的钙钛矿氧化物是BaTiO3。BaTiO3存在菱形、正交、四方和立方相变,BaTiO3(BT)具有较高的居里温度TC=130℃,压电常数d33= 260pC/N,电阻率阶(⁓109Ωcm)[5]。另一方面,钴铁氧体(CoFe2O4)呈立方脊状结构,具有(AB2O4)钙钛矿结构。CoFe2O4(CFO)具有良好的化学稳定性,高矫顽力和剩余力,中等饱和磁化强度。本文选择CFO作为铁氧体相,BT作为铁电相制备磁电复合材料。系统研究xBaTiO3-(1-x)CoFe2O4 (x=0.00, 0.10)复合材料的晶体结构、介电性能和磁性能。采用固相反应法制备了xBaTiO3-(1-x) CoFe2O4 (x=0.00, 0.10)多晶复合材料。先将适当比例的高纯Sigma Aldrich级Ba2Co3、TiO2、Co3O4、Fe2O3(纯度> 99%)作为原料,混合均匀,在玛瑙杵中研磨2小时。Forx=0.00,这些均匀的混合物在873K下煅烧4小时,重新研磨1小时以获得更细的混合物,并在1273K下进行最终热处理(淬火)3小时,xBaTiO3 -(1-x)CoFe2O4 (x=0.10)在1073K下煅烧6小时。将煅烧后的样品重新研磨1小时,在1403K下以5km -1的加热速率对样品进行最终热处理(淬火)4小时。利用Cu Kα辐射(λ = 1.5405 Å)范围为2θ(200 ~ 80)的terrigaku Miniflex-II型x射线衍射仪,在室温下扫描速率为2 min-1,对制备样品的晶体结构进行了分析。为了进一步研究,在FullProof软件的帮助下,使用Rietveld细化来检测XRD图谱。在100Hz-7MHz的频率范围内,用牛顿第四有限公司的阻抗相位分析仪测量了室温下的介电性能。磁性能是在VSM(振动样品磁强计)的帮助下完成的,lakesshore,7304在室温下具有高达6k的最大磁场。图1为xBaTiO3 (1-x) CoFe2O4 (x=0.00和0.10)制备样品的x射线衍射图。复合材料的XRD谱图发现CFO和BT的峰均存在,没有其他杂质。XRD谱图证实BaTiO3与P4mm空间群呈四方对称,CoFe2O4与Fd3m空间群呈立方对称。从图1中所制备样品的XRD图谱可以看出,当x=0.00时,样品存在CFO峰,而x=0.10时,样品的CFO峰和b峰都可以被C和b标记出来。图2显示了所制备样品的Rietveld细化。
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引用次数: 1
Structure of Co/Alq3 bilayers: X-ray reflectivity study Co/Alq3双层结构:x射线反射率研究
Pub Date : 2021-01-01 DOI: 10.1063/5.0061522
K. Mondal, S. Bera, Ajay Gupta, D. Kumar, A. Gome, V. Reddy
In the present paper, we report on the structural investigation of ferromagnetic metal/organic semiconductor bilayer thin films. Ferromagnetic Co thin films with thickness ~ 150 Å were deposited on organic semiconductor Tris-(8hydroxyquinoline)aluminum, Alq3 thin films with different thickness ranging from 250 Å to 900 Å. Alq3 thin films were deposited on Si(100) substrates by thermal evaporation prior to the deposition of Co thin films using electron beam evaporation technique. X-ray reflectivity measurements have been performed to determine the internal structure of the bilayer samples. Experimental reflectivity data were fitted using Parratt formalism to gain information about thickness, electron density, and roughness of the individual layer. X-ray reflectivity analysis confirms about 13 nm diffusion of Co into underneath Alq3 layer at the Co/ Alq3 interface. It is not possible to clarify whether diffused Co is in the form of atoms or as clusters from the x-ray reflectivity analysis.
本文报道了铁磁性金属/有机半导体双层薄膜的结构研究。在厚度为250 Å ~ 900 Å的有机半导体Tris-(8羟基喹啉)aluminum, Alq3薄膜上沉积了厚度为~ 150 Å的铁磁Co薄膜。在用电子束蒸发技术沉积Co薄膜之前,先用热蒸发技术在Si(100)衬底上沉积Alq3薄膜。x射线反射率测量已被执行,以确定双层样品的内部结构。利用Parratt形式拟合实验反射率数据,获得各层的厚度、电子密度和粗糙度等信息。x射线反射率分析证实Co在Co/ Alq3界面处向Alq3层下方扩散约13 nm。从x射线反射率分析中不可能明确扩散的Co是原子形式还是团簇形式。
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引用次数: 0
Fluorescence relaxation and rotational dynamics of 3,3’-NBC-one in polar protic solvents 极性质子溶剂中3,3 ' - nbc - 1的荧光弛豫和旋转动力学
Pub Date : 2021-01-01 DOI: 10.1063/5.0060852
Anil . Kumar, Basappa, N. Hanumanthraju, C. Renuka
At room temperature rotational reorientation dynamics of 3,3'-NBC-Onehas been studied in polar protic solvents using picosecond time resolved spectroscopy.Experimental rotational reorientationtime shows 3,3'-NBC-Onerotates slower when viscosity of solvent increases. Qualitative analysis using Stokes-Einstein-Debye (SED), Geirer-Wirtz (GW) and DoteKivelson-Schwartz (DKS)mechanical frictions theories has been performed. The measured reorientation times of 3,3'-NBCOne is in close agreement with slip boundary condition as predicted by SED theory.
利用皮秒时间分辨光谱技术研究了极性质子溶剂中3,3′- nbc - one在室温下的旋转重定向动力学。实验旋转重定向时间表明,随着溶剂粘度的增加,3,3′- nbc - 1的旋转速度变慢。采用Stokes-Einstein-Debye (SED), Geirer-Wirtz (GW)和DoteKivelson-Schwartz (DKS)机械摩擦理论进行了定性分析。测量到的3,3′-NBCOne重定向次数与SED理论预测的滑移边界条件基本一致。
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引用次数: 0
Analysis of size dependent electrical resistivity of Bi2Te3 nanoparticles 纳米Bi2Te3的电阻率分析
Pub Date : 2021-01-01 DOI: 10.1063/5.0062273
V. Rathore, R. Dixit, R. Kinge, K. Choudhary
The size-dependent electrical resistivity (T) of Bi2Te3 nanoparticles is theoretically analyzed. Temperature-dependent resistivity of Bi2Te3 nanoparticles is very sensitive to particle size, it shows clearly semiconducting phase for 22nm particle size, whereas, for 150nm particle size, it shows metallic behaviour dominated by electron-phonon interaction. The resistivity in metallic phase is estimated considering electronphonon scattering mechanism using Bloch-Gruneisen [BG] model of resistivity. Whereas, resistivity in Semiconducting phase has been estimated by small polaron conduction (SPC) mechanism. The theoretically calculated resistivity for various particle sizes in semiconducting and metallic phase of Bi2Te3 nanoparticles shows good agreement with experimental results in wide temperature range.
从理论上分析了Bi2Te3纳米粒子的尺寸相关电阻率(T)。Bi2Te3纳米粒子的电阻率随温度变化对粒径变化非常敏感,在粒径为22nm时表现出明显的半导体相,而在粒径为150nm时则表现出以电子-声子相互作用为主的金属行为。利用Bloch-Gruneisen [BG]电阻率模型,考虑电子-声子散射机制,估算了金属相的电阻率。而半导体相的电阻率是用小极化子传导(SPC)机制来估计的。在较宽的温度范围内,理论计算的Bi2Te3纳米颗粒的半导体相和金属相电阻率与实验结果吻合较好。
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引用次数: 1
Glycine assisted sol-gel synthesis and structural analysis of CoFe2O4 nanoparticles 甘氨酸辅助CoFe2O4纳米颗粒溶胶-凝胶合成及结构分析
Pub Date : 2021-01-01 DOI: 10.1063/5.0061127
R. Parlikar, R. Chilwar, A. P. Keche, R. Dudhal, A. V. Raut, K. M. Jadhav
In this work, we tried to investigate the structural properties of cobalt ferrite (CoFe2O4) nanoparticles synthesized via the sol-gel auto-combustion method. The synthesis of cobalt ferrite was carried out by glycine assisted auto-ignition in the sol-gel method. The preparation conditions and sintering temperature during the synthesis creates additional phases in the respective materials, which may play an important role in several applications because of their controlled physical properties. Therefore, CoFe2O4 nanoparticles were considered as a good candidate for high-frequency applications. The X-ray diffraction study of CoFe2O4 nanoparticles was carried out for phase purity. XRD pattern revealed the presence of Bragg’s reflections which belong to the cubic spinel structure. The Miller indices (hkl) were identified using the standard method and the FWHM of the most intense peak (311) was used for the calculation of crystallite size. The crystallite size (t) was estimated using Debye-Scherrer’s formula and found to be 32.16 nm which is following our expectations.
在这项工作中,我们试图研究通过溶胶-凝胶自燃烧法合成的钴铁氧体(CoFe2O4)纳米颗粒的结构性质。采用溶胶-凝胶法,采用甘氨酸辅助自燃法合成钴铁氧体。合成过程中的制备条件和烧结温度在各自的材料中产生额外的相,由于它们的物理性质受控,这些相可能在几种应用中发挥重要作用。因此,CoFe2O4纳米粒子被认为是高频应用的良好候选者。对CoFe2O4纳米颗粒进行了相纯度的x射线衍射研究。XRD谱图显示存在布拉格反射,属于立方尖晶石结构。采用标准方法鉴定米勒指数(hkl),采用最强峰(311)的频宽m计算晶体尺寸。根据Debye-Scherrer公式估计晶体尺寸(t)为32.16 nm,符合我们的预期。
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引用次数: 0
To study the synthesis mechanism and effect of dopant concentration of Fe ion incorporate in SnO2 nanostructured materials 研究氧化锡纳米结构材料中Fe离子掺杂浓度的影响及其合成机理
Pub Date : 2021-01-01 DOI: 10.1063/5.0061862
Saneh Lata, Rajesh Kumar
Presently the Nanoscience is the principle topic among the Researcher due to drastic properties and size effective advanced applications of nano scale materials in various field of technology. In present paper nanostructured material of Sn1-xFexO2(where x=0.05, 0.1, 0.15) sample have been prepared successfully by using micro-wave-assisted co-precipitation technique followed by sintering at 6000c for six hours and formation of powder sample in agate motar. The structure and morphology of as-synthesized samples and calcined samples have been examined by diffraction through X-Rays, UV-Vis spectroscopy, FTIR spectra and Scanning of samples by electron microscope techniques respectively. The analysis of X-Ray diffraction snapshots proving that the samples are crystalline in nature and calculated grain size estimated by Debye Scherrer’s formulation is 16.2 nm and analyzed structure is tetragonal rutile structure .The Uv visible absorption spectrograph is used to analyze the optical band gap and shows that the red shifting from 4.1 to 3.64 eV in samples with increment of doping concentration .The FTIR transmission spectra of various samples reveals that the incorporation of Fe ion with various oxidation state by replacing position of Sn ion in SnO2 rutile structure with mainly metal oxide peaks at 562cm-1 for SnO2 and 480 cm-1 for Fe2O3.The SEM images shows that the particles are polycrystalline in nature and truncated in shapes.
纳米材料由于其巨大的性能和尺寸以及在各个技术领域的先进应用,目前已成为研究人员的主要课题。本文采用微波辅助共沉淀法制备了Sn1-xFexO2纳米结构材料(x=0.05, 0.1, 0.15)样品,并在6000℃下烧结6小时,在玛瑙马达中形成粉末样品。分别用x射线衍射、紫外可见光谱、红外光谱和电镜扫描技术对合成样品和煅烧样品的结构和形貌进行了表征。x射线衍射分析表明,样品为晶体,根据Debye Scherrer公式计算出的晶粒尺寸为16.2 nm,分析的结构为金红石型的四边形结构。紫外可见吸收谱仪分析了样品的光学带隙,发现随着掺杂浓度的增加,样品的红移从4.1 ~ 3.64 eV,各样品的FTIR透射光谱显示了铁离子的掺入通过将SnO2金红石结构中Sn离子的位置替换为以金属氧化物为主的562cm-1 (SnO2)和480 cm-1 (Fe2O3)。SEM图像显示,颗粒为多晶,形状呈截形。
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引用次数: 0
Preparation and optical properties of nickel nanoparticles implanted carbon membranes 纳米镍植入碳膜的制备及其光学性能
Pub Date : 2021-01-01 DOI: 10.1063/5.0061269
Disha Harinkhere, K. Choudhary, N. Kaurav
Through dip coating method monodisperse nickel nanoparticles assisted carbon membrane was prepared on porous alumina disc support. The coating solution was prepared by blending of thermally stable polymer polyphenylene oxide (PPO) and thermally labile polymer polyvinylpyrrolidone (PVP) followed by addition of nickel nanoparticles. Size of nanoparticles, surface porosity, average pore size, element composition and optical properties of the membrane were investigated by means of different techniques such as XRD, FE-SEM, EDS and UV-Visible spectrometer Incorporation of nano-sized nickel in polymer matrix causes increase in pore size from 0.022 μm to 0.076 μm as well as porosity and decrease in optical band gap from 5.44 eV to 5.09 eV of membrane.
采用浸涂法在多孔氧化铝圆盘载体上制备了单分散镍纳米颗粒辅助碳膜。采用热稳定型聚合物聚苯乙烯氧化物(PPO)和热不稳定型聚合物聚乙烯吡咯烷酮(PVP)共混,并加入纳米镍制备涂层溶液。采用XRD、FE-SEM、EDS、uv -可见光谱等不同技术研究了纳米颗粒的尺寸、表面孔隙率、平均孔径、元素组成和膜的光学性能,纳米镍在聚合物基体中的掺入使膜的孔径从0.022 μm增大到0.076 μm,孔隙率从5.44 eV减小到5.09 eV,光学带隙从5.44 eV减小。
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引用次数: 1
Ab initio studies of binary alloy clusters 二元合金团簇的从头算研究
Pub Date : 2021-01-01 DOI: 10.1063/5.0062235
A.Suresh Kumar, Rakesh Sharma
The study of recent literature reveals that the discovery of high Tc (Tc = 39 K) superconductivity (SC) in MgB2 has generated considerable interest in this binary system. A Most Unusual Superconductor and How It Works Firstprinciples calculation explains the strange behavior of magnesium diboride. The phonon mediated BCS type mechanism has been acknowledged to be a good tool for its theoretical study via McMillan formalism. Recent studies are the milestones in this direction. In this paper, we report the Harrison’s First Principle Pseudopotential (HFPP) study of this system so as to bring out the effectiveness of this technique which has not been explored as yet. We have studied the impact of core energy eigenvalues on the superconducting (SC) parameters of MgB2.
最近文献的研究表明,MgB2中高Tc (Tc = 39 K)超导性(SC)的发现引起了人们对这一双星系统的极大兴趣。最不寻常的超导体及其工作原理第一原理计算解释了二硼化镁的奇怪行为。声子介导的BCS类型机制已被公认为麦克米伦形式理论研究的一个很好的工具。最近的研究是这个方向的里程碑。本文报道了该系统的哈里森第一原理伪势(HFPP)研究,从而揭示了该技术的有效性。研究了磁芯能量特征值对MgB2超导参数的影响。
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引用次数: 0
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NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020
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