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We present a comprehensive study on the low-temperature orthorhombic phase ofBa(Fe$_{1-x}$Co$_x$)$_2$As$_2$ based on the Korringa-Kohn-Rostoker-Greenfunction approach. Using this bandstructure method in combination with thecoherent potential approximation alloy theory we are able to investigate theevolution of the magnetic and electronic properties of this prototype ironpnictide for arbitrary concentrations $x$, while dealing with the chemicaldisorder without uncontrolled simplifications by using solely a rigid bandshift or the virtual crystal approximation. We discuss the development of thesite resolved magnetic moments for the experimentally observed stripeantiferromagnetic order together with the strong electronic anisotropy of theFermi surface and compare it with angle-resolved photoemission spectroscopymeasurements of detwinned crystals. We furthermore calculate magnetic exchangecoupling parameters $J_{ij}$ and use them for Monte-Carlo simulations on thebasis of the classical Heisenberg model to get an insight on the temperaturedependence of the magnetic ordering on the cobalt concentration.

Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$