Structure and stability of finite gold nanowires

Bilalbegović, Goranka

doi:10.1103/physrevb.58.15412

Cited by 76 publications

(95 citation statements)

References 46 publications

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“…These infinite wires, in comparison with finite gold nanowires in Ref. [10], resemble longer nanowires fabricated in the laboratories. For example, the electron-beam litography methods nowadays produce metallic nanowires 2 whose length is 1µm and more.…”

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confidence: 99%

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Structures and melting in infinite gold nanowires

Bilalbegović

2000

Solid State Communications

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The temperature dependence of structural properties for infinitely long gold nanowires is studied. The molecular dynamics simulation method and the embedded-atom potential are used. The wires constructed at T = 0 K with a face-centered cubic structure and oriented along the (111), (110), and (100) directions are investigated. It was found that multiwalled structures form in all these nanowires. The coaxial cylindrical shells are the most pronounced and well-formed for an initial fcc(111) orientation. The shells stabilize with increasing temperature above 300 K. All nanowires melt at T < 1100 K, i.e., well below the bulk melting temperature.Keywords: A. nanostructures, A. metals, A. surfaces and interfaces, B. nanofabrications, D. phase transitions.Typeset using REVT E X 1 Metallic nanowires are important for applications and for understanding of fundamental properties of materials at nanoscales. Over the past several years investigations on metallic nanowires were devoted mainly to the properties of cylindrical junctions formed between a metallic tip and a metallic substrate [1]. Gold nanostructures whose diameter and length are about 1 nm were recently formed in a scanning tunneling microscope and studied by a highresolution electron microscope [2,3]. Unusual vertical rows of gold atoms were observed. Therefore, it is important to study the internal structure of gold nanowires. Computer simulations are suitable for these investigations.An important topic in the cluster science is the melting of nanoparticles [4][5][6]. Experimental, theoretical, and computer simulation studies have shown that the melting temperature depends on the cluster size. These studies suggest the dependence of the form:where T m is the melting temperature for the spherical nanoparticle of radius R, T b is the bulk melting temperature, and c is a constant. In recent studies deviations from this law for small sizes are found [5,6]. Melting of clusters, i.e., spherical nanoparticles, was the subject of several recent experiments [6]. In contrast, melting of nanowires was not studied experimentally. The exception is an early work on mercury filaments with diameters between 2 and 10 nm [7]. In this experiment a decrease in the melting temperature was detected from the resistance measurements. It is well known that the presence of geometric (i.e., atomic) and electronic shells determines various properties of clusters [6]. Electronic shells in finite sodium nanowires were recently found in a jellium model calculation [8]. These shells were also observed in the conductance measurements [9]. The Molecular Dynamics (MD) simulation has shown an existence of multishelled finite gold nanowires at room temperature [10]. The cylindrical shells obtained in this simulation resemble geometric shells in clusters. Infinite wires with periodic boundary conditions along the wire axes are more often studied by MD simulations. For example, structures of ultra-thin infinite Pb and Al nanowires at T = 0 K were studied by MD simulation [11]. In comparison...

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confidence: 99%

“…In Ref. [10] finite gold nanowires with length of up to several nm and axes initially oriented only along the (111) direction were investigated at T = 300 K. It is also interesting to study infinite gold nanowires. These studies should explain whether multishelled structures appear in infinite wires and starting from other orientations of the axes.…”

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confidence: 99%

Structures and melting in infinite gold nanowires

Bilalbegović

2000

Solid State Communications

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“…Copper nanowires with square cross-section <100> / {100} were created using known lattice parameters of a bulk FCC crystal as shown in Fig.1 2 were considered for the simulation. The nanowires were first relaxed to equilibrium configurations using the conjugate gradient method; the nanowires were then thermally equilibrated at 10 K using the Nose-Hoover thermostat 49,50 for 10 ps with a time step of 0.001 ps before being loaded under tension along the nanowire's axis and was allowed to relax by holding the length of the nanowire unchanged.…”

Section: Simulation Methodsmentioning

confidence: 99%

“…Understanding of these properties is important in the context of nano-electronic device fabrications. The structures of ultra-thin nanowires of Au [1][2][3][4][5][6] , Cu [7][8][9] , Pb, Al [10][11][12] , Ag 13 , and Ti 14 have been investigated using MD simulations. These studies show that helical, multi-shelled, and filled structures exist in several face-centered-cubic (FCC) metals in the form of ultra-thin nanowires.…”

Section: Introductionmentioning

confidence: 99%

Effects of Isothermal and Adiabatic Thermal Loadings on Size and Strain Rate Dependence of Copper Nanowire

Sutrakar¹,

Mahapatra²

2009

DSJ

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“…3 With seven or more atom rows a double-walled tube should be seen, which becomes a triple-walled nanotube when more than fourteen rows are present, and so on. The good reproducibility of these wires, and their stability, [6][7][8][9] which is better for those with outer tubes with an odd number of atom rows, makes them promising candidates for future applications. Ballistic conductance measurements 4 help to confirm the proposed structural model through its derived electronic structure.…”

Section: Introductionmentioning

confidence: 99%

Scaling of the conductance in gold nanotubes

2006

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A new form of gold nanobridges has been recently observed in ultrahigh-vacuum experiments, where gold atoms rearrange to build helical nanotubes, akin in some respects to carbon nanotubes. The good reproducibility of these wires and their unexpected stability allow for conductance measurements and make them promising candidates for future applications. We present here a study of the transport properties of these nanotubes in order to understand the role of chirality and of the different orbitals in quantum transport observables. The conductance per atomic row shows a light decreasing trend as the diameter grows, which is also shown through an analytical formula based on a one-orbital model.

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Structure and stability of finite gold nanowires

Cited by 76 publications

References 46 publications

Structures and melting in infinite gold nanowires

Structures and melting in infinite gold nanowires

Effects of Isothermal and Adiabatic Thermal Loadings on Size and Strain Rate Dependence of Copper Nanowire

Scaling of the conductance in gold nanotubes

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