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稀土(R)-过渡族(T)金属间化合物具有优异的物理和化学性质.本研究考虑电子自旋极化作用,基于第一性原理的全电子投影缀加平面波赝势法理论,采用局域自旋密度近似(LSDA),对Ni13Nd3B2金属间化合物进行结构优化,计算体系晶格常数、电子结构和磁性能.结果表明,Ni13Nd3B2为带隙很小的金属导体.LSDA近似下体系原子间存在复杂作用类型,Nd原子与近邻Ni,B原子以离子键作用为主,Ni原子与近邻Ni原子间表现共价作用情形.体系存在Nd-Ni铁磁耦合,总磁矩约8.4329μB,主要由Nd原子磁矩提供,自旋极化引起的体系Nd-4f,Ni-3p,Nd-5p电子自旋劈裂为体系表现磁性的根本原因. 相似文献
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基于第一性原理方法计算,通过在g-C3N4中掺杂C、B和N原子, 预测了四种元素均匀分布的B-C-N三元单层材料. 除了B4-C3N4单层材料是一个具有1.18 eV带隙的半导体, 其余三种C-B-N三元单层材料都是金属材料.其中,B3C-C3N4是铁磁金属,其净磁矩为0.57 μB/原胞,可用于构建自旋电子器件材料.计算的形成能显 相似文献
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用高温熔融法制备了96GeO-(3-χ)Al2O3-χNa2O-1NaBiO3 (将χ分别为0,0.5,1.5的玻璃命名为A1,A2,A3)和 96GeO-(3.5-ψ)Al2O3-ψχNa2O-0.5Bi2O3(将ψ分别为0,0.5,2的玻璃命名为B1,B2,B3)玻璃。观察到样品在1 220 nm处(800 nm 激光二极管激发)的超宽带发光特性(半高宽约250 nm)。结果表明,以NaBiO3形式引入Bi5+到玻璃原料中比以Bi2O3形式引入Bi3+到原料中得到的玻璃在1 220 nm处的发光强度大4.6倍,且荧光寿命和荧光半高宽也分别从280 μs和195 nm增加到了434 μs和275 nm。从A3,A2和A1的吸收边带的红移可初步推断出A3,A2及A1玻璃中Bi5+的含量逐步增加。总结吸收光谱与发射光谱的变化规律,认为Bi离子近红外高发射强度和宽荧光半高宽是由Bi5+的发光引起的。在两组玻璃中,热稳定性以及荧光发射截面积与荧光寿命的乘积值和荧光发射截面积与荧光半高宽的乘积值随着Na2O含量的增加而增加。 相似文献
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采用水热法制备Bi2WO6-BiPO4异质结光催化剂.利用模拟太阳光照射下的罗丹明B降解实验评价了Bi2WO6-BiPO4复合物的光催化性能.结果表明,Bi2WO6-BiPO4光催化活性比Bi2WO6和BiPO4高得多.当Bi2WO6与BiPO4的摩尔比为1:1时复合光催化剂对罗丹明B的降解率最高.Bi2WO6-BiPO4催化活性增强主要归结为两者之间形成了有效的异质结结构,其内建电场能够促进光生载流子的分离.同时,Bi2WO6的加入增强了其对可见光的吸收.研究表明O2· -和h+在光催化降解过程中是主要的活性物种 相似文献
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制备了Bi7Ti4NbO21,Bi4Ti3O12及Nb掺杂Bi4Ti3O12(Nb-Bi4Ti3O12)层状结构铁电陶瓷材料.结合Nb-Bi 4Ti3O12的介电温谱和 退极化实验结果,研究了Bi7Ti4NbO21的晶体结构 对其介电、压电性能的影响 .高分辨透射电镜结果表明,在Bi7Ti4NbO21中, 沿着c轴方向,(Bi2Ti3O10)2-和(BiTiNbO7)2-两个类钙钛矿层分别 与(Bi2O2)2+层叠加堆积而成.这种晶体结构决定了Bi7Ti4NbO21的 介电温谱在668℃和845℃出现介 电双峰.结合极化样品的退化实验分析,说明材料在这两个温度附近发生了铁电—铁电相变 、铁电—顺电相变,分别是(Bi2Ti3O10)2-< /sup>和(BiTiNbO7)2-层状 结构发生微观结构相变的结果.在退极化过程中,由于受热时钙钛矿层内空位引起的缺陷偶 极子的定向排列受到破坏,引起材料部分退极化,表现为300℃热处理后Bi7Ti 4NbO 21的压电活性降低了10%,显示了室温下材料的压电性能来源于自发极化的固有电 偶极子和缺陷偶极子的共同贡献. 相似文献
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Bi1.5Zn1.0Nb1.5O7/Ba0.6Sr0.4TiO3/Bi1.5Zn1.0Nb1.5O7 tunable multilayer thin film has been fabricated by pulsed laser ablation and characterized. Phase composition and microstructure of multilayer films were characterized by X-ray diffraction, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The film has very smooth surface with RMS roughness of 1.5-2 nm and grain size of 100-150 nm. Total film thickness has been measure to be 375 nm. The BZN thin films at 300 K, on Pt(1 1 1)/SiO2/Si substrate showed zero-field dielectric constant of 105 and dielectric loss tangent of 0.002 at frequency of 0.1 MHz. Thin films annealed at 700 °C shows the dielectric tunability of 18% with biasing field 500 kV/cm at 0.1 MHz. The multilayer thin film shows nonferroelectric behavior at room temperature. The good physical and electrical properties of multilayer thin films make them promising candidate for tunable microwave device applications. 相似文献
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K.V. Ivanovskikh A. Meijerink A. Speghini C. Ronda M. Bettinelli 《Journal of luminescence》2010,130(5):893-16384
The silicates Ca3Sc2Si3O12, Ca3Y2Si3O12 and Ca3Lu2Si3O12, both undoped and doped with Pr3+ ions, have been synthesized by solid-state reaction at high temperature. The luminescence spectroscopy and the excited state dynamics of the materials have been studied upon VUV and X-ray excitation using synchrotron radiation. All doped samples have shown efficient 5d-4f emission upon direct VUV excitation of 5d levels, but only Ca3Sc2Si3O12:Pr3+ shows luminescence upon interband VUV or X-ray excitation. The VUV excited emission spectra of Ca3Y2Si3O12:Pr3+ and Ca3Lu2Si3O12:Pr3+ show features attributed to emission from two distinct sites accommodating the Pr3+ dopant. The decay kinetics of the Pr3+ 5d-4f emission in Ca3Sc2Si3O12:Pr3+ upon VUV excitation across the band gap are characterized by decay times in the range 25-28 ns with no significant rise after the excitation pulse. They appear to be faster upon X-ray irradiation than for VUV excitation. Weak afterglow components are attributed to defect luminescence. 相似文献
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H. Gamari-Seale I.O. Troyanchuk K.L. Stefanopoulos 《Physica B: Condensed Matter》2008,403(17):2924-2929
In this paper we report the study of the perovskites La0.7Ca0.3Mn0.5Co0.5O3 and La0.8Sr0.2Mn0.5Co0.5O3 by neutron powder diffraction at various temperatures and magnetization measurements in zero applied field and at low cooling regimes. The replacement of half Mn by Co in La0.7Ca0.3MnO3 and La0.8Sr0.2MnO3 destroys their long-range ferromagnetism exhibiting a cluster glass ferromagnetic order similar to the one observed in many cobaltites. 相似文献
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R.Z. Mehdiyeva Mir Hasan Yu. Seyidov I.B. Baykulov 《Journal of Physics and Chemistry of Solids》2006,67(12):2623-2627
Boundaries of morphotropic phase transitions region in the system of solid solutions K2Pb4Nb10O30-Na2Pb4Nb10O30-K6W4Nb6O30 with the structure of the tetragonal tungsten bronze have been specified. Presence of the second morphotropic phase transition, perpendicular to the first one has been revealed. The temperature dependences of the structural parameters of some compounds have been investigated. The compounds with high values of Curie temperatures and working temperatures have been obtained. 相似文献
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A. I. Burkhanov Yu. V. Kochergin K. Bormanis A. Kalvane M. Dambekalne 《Physics of the Solid State》2009,51(7):1475-1477
The influence of the prehistory on the electrical properties of layered ferroelectrics is investigated. It is established
that the heating of short-circuited samples of the nonpolarized ceramic material Na0.5Bi8.5Ti2Nb4O27 leads to the appearance of maxima of the current at temperatures below the Curie point only in the case of preliminary ageing
of the samples.
Original Russian Text ? A.I. Burkhanov, Yu.V. Kochergin, K. Bormanis, A. Kalvane, M. Dambekalne, 2009, published in Fizika
Tverdogo Tela, 2009, Vol. 51, No. 7, pp. 1393–1394. 相似文献
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Guangtao Wang Minping Zhang Lihua Zheng Zongxian Yang 《Solid State Communications》2011,151(18):1231-1235
The electronic structure and magnetic properties of new layered oxyselenide compounds La2O3Fe2Se2 and La2O3Co2Se2 are studied by first-principles calculations. Our results indicate that both compounds are Mott-insulators with orbital ordering. The ground states of both compounds are the checkerboard antiferromagnetic states, which are different from the iron pnictide superconductors, although their structures are similar to those of the Fe-As-based superconductors. 相似文献
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Marcel Snels 《Journal of Molecular Spectroscopy》2004,224(1):13-17
The infrared spectrum of isotopically pure CH279BrCl has been recorded at a resolution of 0.0023 cm−1 (FWHM) in the range 550-800 cm−1 with a Bruker IFS 120 HR Fourier transform spectrometer in Wuppertal. Here we report the full rotational analysis of the ν4 and ν5 fundamentals and of the hot-bands ν4+ν6−ν6 and ν5+ν6−ν6. Ground state combination differences were constructed for all bands, yielding improved ground state constants, up to quartic terms, as well as reliable rotational constants for the ν4, ν5, and ν6 states. 相似文献
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An experimental study of proximity effect in La0.67Sr0.33MnO3-YBa2CU3O7-La0.67Sr0.33MnO3 trilayers is reported. Transport measurements on these samples show clear oscillations in critical current (I
c) as the thickness of La0.67Sr0.33MnO3 layers (d
F) is scanned from ∼50 ? to ∼ 1100 ?. In the light of existing theories of ferromagnet-superconductor (FM-SC) heterostructures,
this observation suggests a long range proximity effect in the manganite, modulated by its weak exchange energy (∼2 meV).
The observed modulation of the magnetic coupling between the ferromagnetic LSMO layers as a function of d
F, also suggests an oscillatory behavior of the SC order parameter near the FM-SC interface.
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