Literature DB >> 24889627

Pressure-enabled phonon engineering in metals.

Nicholas A Lanzillo1, Jay B Thomas2, Bruce Watson3, Morris Washington4, Saroj K Nayak5.   

Abstract

We present a combined first-principles and experimental study of the electrical resistivity in aluminum and copper samples under pressures up to 2 GPa. The calculations are based on first-principles density functional perturbation theory, whereas the experimental setup uses a solid media piston-cylinder apparatus at room temperature. We find that upon pressurizing each metal, the phonon spectra are blue-shifted and the net electron-phonon interaction is suppressed relative to the unstrained crystal. This reduction in electron-phonon scattering results in a decrease in the electrical resistivity under pressure, which is more pronounced for aluminum than for copper. We show that density functional perturbation theory can be used to accurately predict the pressure response of the electrical resistivity in these metals. This work demonstrates how the phonon spectra in metals can be engineered through pressure to achieve more attractive electrical properties.

Entities:  

Keywords:  density functional theory; electron-phonon coupling; high-pressure conductivity

Year:  2014        PMID: 24889627      PMCID: PMC4066520          DOI: 10.1073/pnas.1406721111

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  8 in total

1.  Calculated equation of state of al, cu, ta, mo, and W to 1000 GPa

Authors: 
Journal:  Phys Rev Lett       Date:  2000-04-10       Impact factor: 9.161

2.  Linear-response calculations of electron-phonon interactions.

Authors: 
Journal:  Phys Rev Lett       Date:  1994-01-17       Impact factor: 9.161

3.  Evidence of a fcc-hcp transition in aluminum at multimegabar pressure.

Authors:  Y Akahama; M Nishimura; K Kinoshita; H Kawamura; Y Ohishi
Journal:  Phys Rev Lett       Date:  2006-02-03       Impact factor: 9.161

4.  Efficient pseudopotentials for plane-wave calculations.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1991-01-15

5.  Electron-phonon interactions and related physical properties of metals from linear-response theory.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1996-12-15

6.  Superconductivity in lithium, potassium, and aluminum under extreme pressure: a first-principles study.

Authors:  G Profeta; C Franchini; N N Lathiotakis; A Floris; A Sanna; M A L Marques; M Lüders; S Massidda; E K U Gross; A Continenza
Journal:  Phys Rev Lett       Date:  2006-02-02       Impact factor: 9.161

7.  Strain-driven electronic band structure modulation of si nanowires.

Authors:  Ki-Ha Hong; Jongseob Kim; Sung-Hoon Lee; Jai Kwang Shin
Journal:  Nano Lett       Date:  2008-04-11       Impact factor: 11.189

8.  Aluminum conducts better than copper at the atomic scale: a first-principles study of metallic atomic wires.

Authors:  Adam J Simbeck; Nick Lanzillo; Neerav Kharche; Matthieu J Verstraete; Saroj K Nayak
Journal:  ACS Nano       Date:  2012-10-24       Impact factor: 15.881

  8 in total

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