LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials

• Published in: The European physical journal. ST, Special topics Vol. 226; no. 11; pp. 2641 - 2675
• Main Authors: Kuneš, J., Leonov, I., Augustinský, P., Křápek, V., Kollar, M., Vollhardt, D.
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.07.2017; Springer Nature B.V
• Subjects: Atomic; Broken symmetry; Charge density; Classical and Continuum Physics; Computer simulation; Condensation; Condensed Matter Physics; Correlation analysis; Crossovers; Density functional theory; Dynamical Mean-Field Approach with Predictive Power for Strongly Correlated Materials; Electron spin; Excitons; Materials Science; Materials selection; Mean field theory; Measurement Science and Instrumentation; Molecular; Optical and Plasma Physics; Phase transitions; Physics; Physics and Astronomy; Quantum theory; Review; Structural stability

Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the linear response characteristics, or by simulating the ordered ph...