TY - JOUR
T1 - Pressure-enabled phonon engineering in metals
AU - Lanzillo, Nicholas A.
AU - Thomas, Jay B.
AU - Watson, Bruce
AU - Washington, Morris
AU - Nayak, Saroj K.
PY - 2014
Y1 - 2014
N2 - 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.
AB - 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.
KW - Density functional theory
KW - Electron-phonon coupling
KW - High-pressure conductivity
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U2 - 10.1073/pnas.1406721111
DO - 10.1073/pnas.1406721111
M3 - Article
AN - SCOPUS:84902603280
SN - 0027-8424
VL - 111
SP - 8712
EP - 8716
JO - Proceedings of the National Academy of Sciences of the United States of America
JF - Proceedings of the National Academy of Sciences of the United States of America
IS - 24
ER -