Department of Materials Science and Engineering, University of Utah, Salt Lake City, 84112, USA.
Phys Rev Lett. 2012 Aug 3;109(5):055501. doi: 10.1103/PhysRevLett.109.055501. Epub 2012 Jul 31.
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 (σ(QE)) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σ(QE) = 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.
量子电子应力（QES）的概念是在密度泛函理论中引入并公式化的，以阐明在没有晶格应变的情况下，固体和薄膜的应力状态的外禀电子效应。QES（σ(QE))的形式表达式是在电子态的位形势（Ξ）和电子密度的变化（Δn）之间导出的，σ(QE) = ΞΔn，这是经典胡克定律的量子类比。通过密度泛函理论计算定量地证明了两种不同的 QES 表现形式：（1）载流子引起的体应力形式，（2）量子限制引起的表面应力形式。讨论了 QES 在一些物理现象中的意义，以说明其重要性。
