@article{ISI:000381890100003, abstract = {A first-principles investigation of cubic BaRuO3, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte Carlo solver, has been carried out. Nonmagnetic calculations with appropriately chosen on-site Coulomb repulsion U and Hund's exchange J for single-particle dynamics and static susceptibility show that cubic BaRuO3 is in a spin-frozen state at temperatures above the ferromagnetic transition point. A strong redshift with increasing J of the peak in the real frequency dynamical susceptibility indicates a dramatic suppression of the Fermi liquid coherence scale as compared to the bare parameters in cubic BaRuO3. The self-energy also shows clear deviation from Fermi liquid behavior that manifests in the single-particle spectrum. Such a clean separation of energy scales in this system provides scope for an incoherent spin-frozen (SF) phase that extends over a wide temperature range, to manifest in non-Fermi liquid behavior and to be the precursor for the magnetically ordered ground state.}, article-number = {085143}, author = {Dasari, Nagamalleswararao and Yamijala, S. R. K. C. Sharma and Jain, Manish and Dasgupta, T. Saha and Moreno, Juana and Jarrell, Mark and Vidhyadhiraja, N. S.}, doi = {10.1103/PhysRevB.94.085143}, eissn = {2469-9969}, issn = {2469-9950}, journal = {PHYSICAL REVIEW B}, month = {AUG 24}, number = {8}, orcid-numbers = {Jain, Manish/0000-0001-9329-6434 Moreno, Juana/0000-0002-7601-9934 Yamijala, Sharma S. R. K. C./0000-0003-1773-9226}, researcherid-numbers = {S, Vidhyadhiraja N/E-6715-2010 Jain, Manish/A-8303-2010 Moreno, Juana/D-5882-2012 Yamijala, Sharma S. R. K. C./AAC-1046-2020}, times-cited = {3}, title = {First-principles investigation of cubic BaRuO3: A Hund's metal}, unique-id = {ISI:000381890100003}, volume = {94}, year = {2016} }