Frenkel-Kontorova Model of Vacancy-Line Interactions on Ga/Si(112): Formalism
S. C. Erwin, A. A. Baski, L. J. Whitman, R. E. Rudd
Abstract
We describe in greater detail the exactly solvable microscopic model we have developed for analyzing the strain-mediated interaction of vacancy lines in a pseudomorphic adsorbate system (Phys. Rev. Lett., to appear). The model is applied to Ga/Si(112) by extracting values for the microscopic parameters from total-energy calculations. The results, which are in good agreement with experimental observations, reveal an unexpectedly complex interplay between compressive and tensile strain within the mixed Ga-Si surface layer.
Create a lesson
Related papers
Temperature dependence of the charge density from first principles: application to the (222) forbidden reflection in silicon
Jean Paul Nery, Raveena Gupta, Olle Hellman et al.
Coupled anisotropic weak topological states and Floquet mixed-parity altermagnetism in two-dimensional Su-Schrieffer-Heeger models
Kunyuan Feng, Xibin Liu, Chenchen Liu et al.
Grain Boundary Phase Transitions Enable Diffusionless Climb of Disconnections
Md Sharier Nazim, Giacomo Po, Nikhil Chandra Admal
3D Cloud Component Analysis of Atomic Structures
Pai Li
Benchmarking of Fast and Interpretable UF Machine Learning Potentials
Pawan Prakash, Sam Dong, Richard G. Hennig
Grain-Boundary Premelting in High-Entropy Transition Metal Carbides
Marium M. Mou, Caleb Schenck, Samuel E. Daigle et al.