A comparative study of quantum transport properties of silver and copper nanowires using first principles calculations

The electronic structure and transport properties of silver (Ag) and copper (Cu) nanowires of diameters up to 1.7 nm are investigated using first principles density functional theory and the Landauer formalism in conjunction with a supercell approach. A direct comparison of the ballistic conductances, quantum capacitances, and kinetic inductances indicates that Ag and Cu nanowires show very similar performances. Compared to the electrostatic capacitance, the quantum capacitance is found to have a negligible effect on the total capacitance of the nanowire interconnect. In contrast, the overall inductance has a dominant contribution from the kinetic inductance over the magnetic inductance.

[1]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[2]  A. Bid,et al.  Temperature dependence of the resistance of metallic nanowires of diameter≥15nm: applicability of Bloch-Grüneisen theorem , 2006, cond-mat/0607674.

[3]  Younan Xia,et al.  Synthesis and electrical characterization of silver nanobeams. , 2006, Nano letters.

[4]  T. Boykin,et al.  Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D—Part I: Models and Benchmarks , 2007, IEEE Transactions on Electron Devices.

[5]  D. Vanderbilt,et al.  Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.

[6]  Supriyo Datta,et al.  Quantum Transport: Atom to Transistor: Atom to transistor , 2005 .

[7]  C. Rutherglen,et al.  Nanoelectromagnetics: circuit and electromagnetic properties of carbon nanotubes. , 2009, Small.

[8]  Daniel Josell,et al.  Size-Dependent Resistivity in Nanoscale Interconnects , 2009 .

[9]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[10]  R. G. Chambers,et al.  The conductivity of thin wires in a magnetic field , 1950, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[11]  V. Anisimov,et al.  Band theory and Mott insulators: Hubbard U instead of Stoner I. , 1991, Physical review. B, Condensed matter.

[12]  K. Banerjee,et al.  On the Applicability of Single-Walled Carbon Nanotubes as VLSI Interconnects , 2009, IEEE Transactions on Nanotechnology.

[13]  Benjamin J Wiley,et al.  The Growth Mechanism of Copper Nanowires and Their Properties in Flexible, Transparent Conducting Films , 2010, Advanced materials.

[14]  Kwang S. Kim,et al.  Ultrathin Single-Crystalline Silver Nanowire Arrays Formed in an Ambient Solution Phase , 2001, Science.

[15]  Gerhard Klimeck,et al.  Numerical strategies towards peta-scale simulations of nanoelectronics devices , 2010, Parallel Comput..

[16]  J. Meindl,et al.  Design and Performance Modeling for Single-Walled Carbon Nanotubes as Local, Semiglobal, and Global Interconnects in Gigascale Integrated Systems , 2007, IEEE Transactions on Electron Devices.

[17]  Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab initio Hamiltonians , 2003, cond-mat/0307658.

[18]  C. Xu,et al.  Modeling, Analysis, and Design of Graphene Nano-Ribbon Interconnects , 2009, IEEE Transactions on Electron Devices.

[19]  Georg Kresse,et al.  Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements , 1994 .

[20]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[21]  Orlando,et al.  Landauer's conductance formula and its generalization to finite voltages. , 1989, Physical review. B, Condensed matter.

[22]  Jackson,et al.  Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.

[23]  Shuhong Yu,et al.  Conducting performance of individual Ag@C coaxial nanocables: ideal building blocks for interconnects in nanoscale devices. , 2009, Small.

[24]  S. Datta.  Quantum Transport: Atom to Transistor , 2004 .

[25]  S. Datta,et al.  Transport effects on signal propagation in quantum wires , 2005, IEEE Transactions on Electron Devices.

[26]  W. Steinhögl,et al.  Size-dependent resistivity of metallic wires in the mesoscopic range , 2002 .

[27]  M. Bode,et al.  Surface scattering effect on the electrical resistivity of single crystalline silver nanowires self-assembled on vicinal Si (001) , 2009 .

[28]  Saroj K. Nayak,et al.  Resistance of copper nanowires and comparison with carbon nanotube bundles for interconnect applications using first principles calculations , 2008 .