Quantum Electronic Stress: Density-Functional-Theory Formulation and Physical Manifestation

Hao Hu, Miao Liu, Z. F. Wang, Junyi Zhu, Dangxin Wu, Hepeng Ding, Zheng Liu, and Feng Liu
Phys. Rev. Lett. 109, 055501 – Published 31 July 2012
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Abstract

The concept of quantum electronic stress (QES) is introduced and formulated within density functional theory to elucidate extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. A formal expression of QES (σQE) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σQE=ΞΔn as a quantum analog of classical Hooke’s law. Two distinct QES manifestations are demonstrated quantitatively by density functional theory calculations: (1) in the form of bulk stress induced by charge carriers and (2) in the form of surface stress induced by quantum confinement. Implications of QES in some physical phenomena are discussed to underlie its importance.

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  • Received 15 December 2011

DOI:https://doi.org/10.1103/PhysRevLett.109.055501

© 2012 American Physical Society

Authors & Affiliations

Hao Hu1, Miao Liu1, Z. F. Wang1, Junyi Zhu1,*, Dangxin Wu1, Hepeng Ding1, Zheng Liu1,2, and Feng Liu1,†

  • 1Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA
  • 2Institute for Advanced Study, Tsinghua University, Beijing, 100084, China

  • *Present address: National Renewable Energy Laboratory, 1617 Cole Boulevard, Golden, CO 80401, USA.
  • Corresponding author fliu@eng.utah.edu

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Issue

Vol. 109, Iss. 5 — 3 August 2012

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