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Exchange field induced symmetry breaking in quantum hexaborides
D. Rivera, Fernando P. Sabino, H. Raebiger +3
Symmetry breaking (SB) has proven to be a powerful approach for describing quantum materials: strong correlation, mass renormalization, and complex phase transitions are among the…
Unusual Electron-Phonon Interactions in Highly Anisotropic Two-Dimensional
Fei Wang, Qiaohui Zhou, Hong Tang +9
Electron-phonon interactions (EPIs) represent a fundamental cornerstone of condensed matter physics, commanding persistent attention due to their pivotal role in driving novel quan…
The isostructural alpha-gamma phase transition in cerium from the perspective of meta-generalized gradient approximations
Ashesh Giri, Chandra Shahi, Adrienn Ruzsinszky
Meta-generalized gradient approximations (meta-GGAs) on the third rung of the functional hierarchy are gaining increasing relevance for the electronic structure. Meta-GGAs are cons…
Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density
Harshan Reddy Gopidi, Ruiqi Zhang, Yanyong Wang +5
Density functional theory (DFT) in chemistry and materials science aims for "chemical accuracy," but this goal is challenged by the need to approximate the exact exchange-correlati…
Diverse edge states of nanoribbons and excitonic insulator states of the monolayer Ta2Ni3Te5
Hong Tang, Jiang Wei, Gabor I. Csonka +1
Ta2Ni3Te5, a layered transition metal chalcogenide with quasi-one-dimensional electronic states, exhibits rich topological and correlated phenomena. Using first-principles calculat…