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First-principles analysis of the intermediate band in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>CuGa</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>โ</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Fe</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
We present a comprehensive study of the electronic, magnetic, and optical properties of CuGa$_{1-x}$Fe$_x$S$_2$, as a promising candidate for intermediate-band (IB) solar cells. We use hybrid exchange-correlation functional within the density functional theory framework, and show that Fe doping induces unoccupied states 1.6-1.9 eV above the valence band. The IBs โฆ