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Nature of the Mott Transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Ca</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>RuO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>

Nature of the Mott Transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Ca</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>RuO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>

We study the origin of the temperature-induced Mott transition in Ca2RuO4. As a method we use the local-density approximation+dynamical mean-field theory. We show the following. (i) The Mott transition is driven by the change in structure from long to short c-axis layered perovskite (L-Pbca→S-Pbca); it occurs together with orbital order, …