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41.
As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is
desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals.
We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate
the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation
(GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic
quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature.
We also obtain much closer agreement with experiment than earlier, more approximate calculations. 相似文献
42.
Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of
semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons
of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr). 相似文献
43.
Bart Van der Bruggen 《Membrane Technology》2003,2003(2):6-9
As the requirement for fresh water increases worldwide, there is a need for more and more plants that are able to treat non-conventional water sources. Sea water has become an important source of fresh water in many arid regions. This feature provides an overview of recent process improvements in sea water desalination using reverse osmosis, multi-stage flash, multi-effect distillation and electrodialysis. Areas discussed include the use of alternative energy sources (wind energy, solar energy and nuclear energy) for reverse osmosis or distillation processes, and the impact of the different desalination process on the environment. Also covered are the implementation of hybrid processes in sea water desalination, and the pretreatment of desalination plants by pressure-driven membrane processes. 相似文献
44.
45.
Vladimir Rozenshtein Alexander Berg Haim Levanon Uwe Krueger Dietmar Stehlik Yuri Kandrashkin Art Van Der Est 《Israel journal of chemistry》2003,43(3-4):373-381
Light-induced spin-polarized transient EPR spectra are reported for several water-soluble copper porphyrins. The spectra are assigned to the doublet ground state, with emissive spin polarization resulting from photoexcitation and subsequent electronic relaxation. In contrast to other systems for which polarization of a doublet ground state has been observed, the exchange interactions in the copper porphyrins are strong and the geometry is fixed. It is proposed that intersystem crossing from the photoexcited trip-doublet to the trip-quartet state can lead to net polarization of the spin system and that this polarization is maintained during electronic decay, possibly via charge-transfer and exciplex states. The intensity of the observed spin polarization is essentially independent of the molecular orientation in the external field, but is strongly dependent on the nature of the charged peripheral groups. Possible reasons for this behavior are discussed. 相似文献
46.
Ho Van Khuong Hyung-Yun Kong 《Communications Letters, IEEE》2006,10(3):159-161
In order to evaluate exactly the performance of some diversity schemes, the probability density function (pdf) of a sum of independent exponential random variables (r.v.'s) must be known. This paper proposes a simple method to find it by using characteristic function., The resultant pdf is successfully applied to formulate the closed-form BER expression of 2 Tx-J Rx transmit diversity as well as the outage probability of repetition coding. 相似文献
47.
Dong-Soo Yoon Jae Sung Roh Sung-Man Lee Hong Koo Baik 《Journal of Electronic Materials》2003,32(8):890-898
The effect of a thin RuOx layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuOx/TiN/doped poly-Si/Si stack structure over the post-deposition annealing temperature ranges of 450–600°C. The Ru/TiN/poly-Si/Si
contact system exhibited linear behavior at forward bias with a small increase in the total resistance up to 600°C. The RuOx/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no
formation of a thin RuOx layer at the RuOx surface and porous-amorphous microstructure. In the former case, the addition of oxygen at the surface layer of the Ru film
by pre-annealing leads to the formation of a thin RuOx layer and chemically strong Ru-O bonds. This results from the retardation of oxygen diffusion caused by the discontinuity
of diffusion paths. In particular, the RuOx layer in a nonstoichiometric state is changed to the RuO2-crystalline phase in a stoichiometric state after post-deposition annealing; this phase can act as an oxygen-capture layer.
Therefore, it appears that the electrical properties of the Ru/TiN/poly-Si/Si contact system are better than those of the
RuOx/TiN/poly-Si/Si contact system. 相似文献
48.
Montanari D. Van Houdt J. Groeseneken G. Maes H.E. 《Solid-State Circuits, IEEE Journal of》1998,33(7):1090-1095
This paper presents a high-speed, small-area circuit specifically designed to identify the levels in the read out operation of a flash multilevel memory. The circuit is based on the analog computation of the Euclidean distance between the current read out from a memory cell and the reference currents that represent the different logic levels. An experimental version of the circuit has been integrated in a standard double-metal 0.7-μm CMOS process with a die area of only 140×100 μm2. Operating under a 5-V power supply, this circuit identifies the read-out current of a memory cell, and associates it with the appropriate logic level in 9 ns 相似文献
49.
The indications and results of single and double lung transplantation are described on the basis of 66 operations performed by the authors and on the background of the world literature. Lung transplantation is considered a new and promising therapeutic mode for treating patients with end-stage pulmonary failure related to fibrosis, emphysema, infective conditions, and pulmonary hypertension yielding satisfactory early results. The long-term prognosis of patients undergoing lung transplantation, like that of any other organ transfer, remains guarded. 相似文献
50.