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Haule, Kristjan, Pascut, Gheorghe L. (2016) Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach. Physical Review B, 94 (19) doi:10.1103/physrevb.94.195146

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Reference TypeJournal (article/letter/editorial)
TitleForces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach
JournalPhysical Review B
AuthorsHaule, KristjanAuthor
Pascut, Gheorghe L.Author
Year2016 (November 28)Volume94
Issue19
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.94.195146Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14243345Long-form Identifiermindat:1:5:14243345:6
GUID0
Full ReferenceHaule, Kristjan, Pascut, Gheorghe L. (2016) Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach. Physical Review B, 94 (19) doi:10.1103/physrevb.94.195146
Plain TextHaule, Kristjan, Pascut, Gheorghe L. (2016) Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach. Physical Review B, 94 (19) doi:10.1103/physrevb.94.195146
In(2016, November) Physical Review B Vol. 94 (19) American Physical Society (APS)

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Koçer, Can P., Haule, Kristjan, Pascut, G. Lucian, Monserrat, Bartomeu (2020) Efficient lattice dynamics calculations for correlated materials with DFT+DMFT. Physical Review B, 102 (24) doi:10.1103/physrevb.102.245104
Mauerer, Tobias, Vogt, Matthias, Hsu, Pin-Jui, Pascut, Gheorghe Lucian, Haule, Kristjan, Kiryukhin, Valery, Yang, Junjie, Cheong, Sang-Wook, Wu, Weida, Bode, Matthias (2016) Visualizing anisotropic propagation of stripe domain walls in staircaselike transitions ofIrTe2. Physical Review B, 94 (1) doi:10.1103/physrevb.94.014106
Lee, Juho, Haule, Kristjan (2017) Diatomic molecule as a testbed for combining DMFT with electronic structure methods such as GW and DFT. Physical Review B, 95 (15) doi:10.1103/physrevb.95.155104
Pascut, Gheorghe Lucian, Widom, Michael, Haule, Kristjan, Quader, Khandker F. (2019) First-principles study of the electronic structure and the Fermi surface in rare-earth filled skutterudites RPt4Ge12. Physical Review B, 100 (12) doi:10.1103/physrevb.100.125114
Isaacs, Eric B., Marianetti, Chris A. (2020) Compositional phase stability of correlated electron materials within DFT+DMFT. Physical Review B, 102 (4) doi:10.1103/physrevb.102.045146
Haule, Kristjan (2018) Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach. Journal of the Physical Society of Japan, 87 (4). 41005pp. doi:10.7566/jpsj.87.041005
Haule, Kristjan, Kotliar, Gabriel (2007) Strongly correlated superconductivity: A plaquette dynamical mean-field theory study. Physical Review B, 76 (10) doi:10.1103/physrevb.76.104509
Haule, Kristjan, Pascut, Gheorghe L. (2017) Mott Transition and Magnetism in Rare Earth Nickelates and its Fingerprint on the X-ray Scattering. Scientific Reports, 7. doi:10.1038/s41598-017-10374-2
Wang, Yazhong, Pascut, Gheorghe L., Gao, Bin, Tyson, Trevor A., Haule, Kristjan, Kiryukhin, Valery, Cheong, Sang-Wook (2015) Unveiling hidden ferrimagnetism and giant magnetoelectricity in polar magnet Fe2Mo3O8. Scientific Reports, 5. doi:10.1038/srep12268
Protsenko, V. S., Katanin, A. A. (2016) Interaction-induced local moments in parallel quantum dots within the functional renormalization group approach. Physical Review B, 94 (19) doi:10.1103/physrevb.94.195148
Haule, Kristjan, Yee, Chuck-Hou, Kim, Kyoo (2010) Dynamical mean-field theory within the full-potential methods: Electronic structure ofCeIrIn5,CeCoIn5, andCeRhIn5. Physical Review B, 81 (19) doi:10.1103/physrevb.81.195107
 
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