Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

The ever increasing requirements for electrical performance of on-chip wiring has driven three major technological advances in recent years. First, copper has replaced Aluminum as the new interconnect metal of choice, forcing also the introduction of damascene processing. Second, alternatives for SiO2 with a lower dielectric constant are being developed and introduced in main stream processing. The many new resulting materials needs to be classified in terms of their materials characteristics, evaluated in terms of their properties, and tested for process compatibility. Third, in an attempt to lower the dielectric constant even more, porosity is being introduced into these new materials. The study of processes such as plasma interactions and swelling in liquid media now becomes critical. Furthermore, pore sealing and the deposition of a thin continuous copper diffusion barrier on a porous dielectric are of prime importance. This review is an attempt to give an overview of the classification, the character...

Low dielectric constant materials for microelectronics

International Technology Roadmap for Semiconductors 2003の要求清浄度について － シリコンウエハ表面と雰囲気環境に要求される清浄度, 分析方法の現状について －

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Electronic Transport In Mesoscopic Systems

Atomic layer deposition (ALD) is gaining attention as a thin film deposition method, uniquely suitable for depositing uniform and conformal films on complex three-dimensional topographies. The deposition of a film of a given material by ALD relies on the successive, separated, and self-terminating gas–solid reactions of typically two gaseous reactants. Hundreds of ALD chemistries have been found for depositing a variety of materials during the past decades, mostly for inorganic materials but lately also for organic and inorganic–organic hybrid compounds. One factor that often dictates the properties of ALD films in actual applications is the crystallinity of the grown film: Is the material amorphous or, if it is crystalline, which phase(s) is (are) present. In this thematic review, we first describe the basics of ALD, summarize the two-reactant ALD processes to grow inorganic materials developed to-date, updating the information of an earlier review on ALD [R. L. Puurunen, J. Appl. Phys. 97, 121301 (2005)], and give an overview of the status of processing ternary compounds by ALD. We then proceed to analyze the published experimental data for information on the crystallinity and phase of inorganic materials deposited by ALD from different reactants at different temperatures. The data are collected for films in their as-deposited state and tabulated for easy reference. Case studies are presented to illustrate the effect of different process parameters on crystallinity for representative materials: aluminium oxide, zirconium oxide, zinc oxide, titanium nitride, zinc zulfide, and ruthenium. Finally, we discuss the general trends in the development of film crystallinity as function of ALD process parameters. The authors hope that this review will help newcomers to ALD to familiarize themselves with the complex world of crystalline ALD films and, at the same time, serve for the expert as a handbook-type reference source on ALD processes and film crystallinity.

Crystallinity of inorganic films grown by atomic layer deposition: Overview and general trends

Carbon nanotube (CNT) field effect transistors (FETs) are expected to have several advantages over silicon-based FETs. While most of the literature deals with digital applications, this paper gives an overview on the present status of CNTFET technology for radio-frequency analog applications, including the respective requirements. Results for transistors and circuits achieved so far as well as possible fabrication approaches for performance improvement are discussed.

CNTFET-based RF electronics — State-of-the-art and future prospects

For Cu/carbon nanotube(CNT) hybrid interconnect technology the growth of CNTs on a conductive substrate connected to Cu lines is required. CNTs were grown by catalytic chemical vapour deposition and the effect of a Cu layer beneath was investigated. By electron energy loss spectroscopy (EELS) we found the Cu to diffuse into the catalyst. This influences CNT growth. Therefore, incorporation of a sufficient diffusion barrier between the Cu layer and the substrate is required. As diffusion barriers we used Ta and TaN.

Influence of copper on the catalytic carbon nanotube growth process

The invention relates to a method for producing a coated substrate having a coating made of copper or a coating comprising copper by means of atomic layer disposition (ALD). To this end, a fluorine-free copper (I) complex of the formula L2Cu (X∩X) is used as a copper precursor, wherein L is a σ donor/π acceptor or a σ,π donor/π acceptor ligand and wherein X∩X is a bidentate ligand, namely a β-diketonate, a β-ketoiminate, a β-diiminate, and amidinate, a carboxylate, or a thiocarboxylate. A smooth ALD coating (2) containing copper is obtained on tantalum nitride (3).

Stefan E. Schulz

Papers

CNTFET-based RF electronics — State-of-the-art and future prospects

Influence of copper on the catalytic carbon nanotube growth process

Substrate having a coating comprising copper and method for the production thereof by means of atomic layer deposition

Metallization by Chemical Vapor Deposition of W and Cu

Chemical Repair of Plasma Damaged Porous Ultra Low-k SiOCH Film using a Vapor Phase Process