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61.
M. Georgelin A. Pocheau 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,4(2):169-174
The polycrystalline perovskitelike manganese oxides La1-xAxMnO (A = Na, and K, ) have been fabricated by sol-gel technique. For all the compositions explored in this work, the average manganese oxidation
state is practically constant, at for A = Na, and for A = K, respectively. A close relationship is confirmed to hold between the Curie temperature (Tc) and the bond distance of Mn-O. Results of magnetic measurements show that these materials can be utilized as suitable candidates
for magnetic refrigerants with wide applied temperature span, for their significant entropy change and the easily tuned Curie
temperature.
Received: 12 September 1997 / Revised: 18 December 1997 / Accepted: 21 January 1998 相似文献
62.
C. Waldtmann H.-U. Everts B. Bernu C. Lhuillier P. Sindzingre P. Lecheminant L. Pierre 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,2(4):501-507
We study the exact low energy spectra of the spin 1/2 Heisenberg antiferromagnet on small samples of the kagomé lattice of up to N=36 sites. In agreement with the conclusions of previous authors, we find that these low energy spectra contradict the hypothesis
of Néel type long range order. Certainly, the ground state of this system is a spin liquid, but its properties are rather
unusual. The magnetic () excitations are separated from the ground state by a gap. However, this gap is filled with nonmagnetic () excitations. In the thermodynamic limit the spectrum of these nonmagnetic excitations will presumably develop into a gapless
continuum adjacent to the ground state. Surprisingly, the eigenstates of samples with an odd number of sites, i.e. samples with an unsaturated spin, exhibit symmetries which could support long range chiral order. We do not know if these
states will be true thermodynamic states or only metastable ones. In any case, the low energy properties of the spin 1/2 Heisenberg
antiferromagnet on the kagomé lattice clearly distinguish this system from either a short range RVB spin liquid or a standard chiral spin liquid. Presumably
they are facets of a generically new state of frustrated two-dimensional quantum antiferromagnets.
Received: 27 November 1997 / Accepted: 29 January 1998 相似文献
63.
Levoglucosenone reacts with α-aminoazoles to yield azolo[1,5-a]pyrimidine systems fused with a carbohydrate fragment. The reaction oocurs much more smoothly than in the case of other α,β-unsaturated
ketones. The reactions of levoglucosenone with β-dicarbonyl compounds (dimedone, barbituric acid) in the presence of a base
results in the pyran ring closure, which has never been observed earlier in reactions of β-dicarbonyl compounds with α,β-unsaturated
ketones under the conditions of basic catalysis. The structures of products were established by IR and NMR spectroscopy.
For Part 3, see Ref. 1.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 553–558, March, 1997. 相似文献
64.
Double Michael additions of lithium enolaie of 1,4-dioxaspiro[4.5]dec-6-en-8-one to four acrylates afforded bicyclo[2.2.2]octan-2-ones with high regio- and stereoselectivities in moderate yields. 相似文献
65.
Phase Relations and Sodium Ion Conductivity within the Quasi-binary System Na2SiF6/Na2AIF6 . The phase diagram of the Na2SiF6/Na3AlF6 system has been determined by means of x-ray powder diffraction, thermal analysis and conductivity measurements in the sub-solidus region. Na3AlF6 accomodates up to 73 mol.-% Na2SiF6 maintaining the crystal structure type. The sodium ion conductivity increases by about five orders of magnitude upon doping Na3AlF6 with Na2SiF6. 相似文献
66.
In circuit-switched networks call streams are characterized by their mean and peakedness (two-moment method). The GI/M/C/0 system is used to model a single link, where the GI-stream is determined by fitting moments appropriately. For the moments of the overflow traffic of a GI/M/C/0 system there are efficient numerical algorithms available. However, for the moments of the freed carried traffic, defined as the moments of a virtual link of infinite capacity to which the process of calls accepted by the link (carried arrival process) is virtually directed and where the virtual calls get fresh exponential i.i.d. holding times, only complex numerical algorithms are available. This is the reason why the concept of the freed carried traffic is not used. The main result of this paper is a numerically stable and efficient algorithm for computing the moments of freed carried traffic, in particular an explicit formula for its peakedness. This result offers a unified handling of both overflow and carried traffics in networks. Furthermore, some refined characteristics for the overflow and freed carried streams are derived. 相似文献
67.
The dependence of the beam propagation factor (M
2 parameter) with the absorbed pump power in the case of monolithic microchip laser under face-cooled configuration is extensively
studied. Our investigations show that the M
2 parameter is related to the absorbed pump power through two parameters (α and β) whose values depend on the laser material properties and laser configuration. We have shown that one parameter arises due
to the oscillation of higher order modes in the microchip cavity and the other parameter accounts for the spherical aberration
associated with the thermal lens induced by the pump beam. Such dependency of M
2 parameter with the absorbed pump power is experimentally verified for a face-cooled monolithic microchip laser based on Nd3+ -doped GdVO4 crystal and the values of α and β parameters were estimated from the experimentally measured data points. 相似文献
68.
The Schwinger representation of the SO(8) fermion pair algebra in terms ofd and quasispin vector (u, s, v) bosons is used in deriving a microscopic boson coherent state having both particle-hole and pair excitations. The coherent
state is the exact boson image of the HFB variational solution. We can study the shape phase transition and pairing behaviour
of the nuclear ground states using the coherent states. 相似文献
69.
采用密度泛涵理论(density functional theory,DFT)中的广义梯度近似(generally gradient approximation,GGA)对富勒烯C72和内掺金属La富勒烯La2@C72三种同分异构体的几何结构和电子结构进行研究.发现在C72的三种同分异构体中,满足独立五边形规则(isolated-pentagon-rule,IPR)的C72(D6d)结构最为稳定;在La2@C72三种同分异构体中,有着两对两两相邻五元环(twofused-pentagon)的La2@C72(#10611)结构最为稳定,而满足IPR的La2@C72(D6d)的结构变成了最不稳定结构.从能级图和态密度图分析得知,笼子稳定性的变化与La原子的原子轨道与C72原子轨道之间的杂化有关.Mulliken电荷分析得知,La2@C72(#10611)的两个La原子共转移了约3个电子给C72,并且,它们几乎分布在整个C笼上,形成的电子结构为La23+@C3-72.净自旋分析得知,La2@C72(#10611)中La原子磁性完全淬灭. 相似文献
70.
采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态 密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并 有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少,表面原子周围的环境发生变化而引起的.
关键词:
密度泛函理论
2(001)')" href="#">t-HfO2(001)
表面电子结构 相似文献