Mermin-Wagner theorem, flexural modes, and degraded carrier mobility in two-dimensional crystals with broken horizontal mirror symmetry

被引:85
作者
Fischetti, Massimo V. [1 ]
Vandenberghe, William G. [1 ]
机构
[1] Univ Texas Dallas, Dept Mat Sci & Engn, 800 W Campbell Rd, Richardson, TX 75080 USA
关键词
TOTAL-ENERGY CALCULATIONS; BAND-GAP; SEMICONDUCTORS; SILICENE;
D O I
10.1103/PhysRevB.93.155413
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We show that the electron mobility in ideal, free-standing two-dimensional "buckled" crystals with broken horizontal mirror (sigma(h)) symmetry and Dirac-like dispersion (such as silicene and germanene) is dramatically affected by scattering with the acoustic flexural modes (ZA phonons). This is caused both by the broken sh symmetry and by the diverging number of long-wavelength ZA phonons, consistent with the Mermin-Wagner theorem. Non-sh-symmetric, "gapped" 2D crystals (such as semiconducting transition-metal dichalcogenides with a tetragonal crystal structure) are affected less severely by the broken sh symmetry, but equally seriously by the large population of the acoustic flexural modes. We speculate that reasonable long-wavelength cutoffs needed to stabilize the structure (finite sample size, grain size, wrinkles, defects) or the anharmonic coupling between flexural and in-plane acoustic modes (shown to be effective in mirror-symmetric crystals, like free-standing graphene) may not be sufficient to raise the electron mobility to satisfactory values. Additional effects (such as clamping and phonon stiffening by the substrate and/or gate insulator) may be required.
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页数:13
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