Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076110811> ?p ?o ?g. }
- W2076110811 abstract "Examining phase stabilities and phase equilibria in strongly correlated materials asks for a next level in the many-body extensions to the local-density approximation (LDA) beyond mainly spectroscopic assessments. Here, we put the charge-self-consistent LDA+dynamical mean-field theory (DMFT) methodology based on projected local orbitals for the LDA+DMFT interface and a tailored pseudopotential framework into action in order to address such thermodynamics of realistic strongly correlated systems. Namely, a case study for the electronic phase diagram of the well-known prototype Mott-phenomena system V${}_{2}$O${}_{3}$ at higher temperatures is presented. We are able to describe the first-order metal-to-insulator transitions with negative pressure and temperature from the self-consistent computation of the correlated total energy in line with experimental findings." @default.
- W2076110811 created "2016-06-24" @default.
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- W2076110811 date "2012-10-10" @default.
- W2076110811 modified "2023-10-16" @default.
- W2076110811 title "Approaching finite-temperature phase diagrams of strongly correlated materials: A case study for V<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>" @default.
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- W2076110811 doi "https://doi.org/10.1103/physrevb.86.155121" @default.
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