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Atomistic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>T</mml:mi></mml:math> -matrix theory of disordered two-dimensional materials: Bound states, spectral properties, quasiparticle scattering, and transport
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The method is based on the $T$-matrix formalism in combination with realistic density-functional theory descriptions of the defects and their scattering matrix …