/rasei/ en /rasei/2024/06/01/impact-symmetry-breaking-and-spin-orbit-coupling-band-gap-halide-perovskites Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites Anonymous (not verified) Sat, 06/01/2024 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Perovskites Zunger PHYSICAL REVIEW B, 2024, 110, 035160 window.location.href = `https://doi.org/10.1103/PhysRevB.110.035160`;

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Traditional 0 On White ]]> Sat, 01 Jun 2024 06:00:00 +0000 Anonymous 1047 at /rasei /rasei/2023/10/11/light-induced-frenkel-defect-pair-formation-can-lead-phase-segregation-otherwise-miscible Light-Induced Frenkel Defect Pair Formation Can Lead to Phase-Segregation of Otherwise Miscible Halide Perovskite Alloys Anonymous (not verified) Wed, 10/11/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Perovskites Zunger ADVANCED ENERGY MATERIALS, 2023, 2301539 window.location.href = `https://doi.org/10.1002/aenm.202301539`;

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Traditional 0 On White ]]> Wed, 11 Oct 2023 06:00:00 +0000 Anonymous 626 at /rasei /rasei/2023/08/31/uncovering-spin-orbit-coupling-independent-hidden-spin-polarization-energy-bands Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets Anonymous (not verified) Thu, 08/31/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Energy Generation Nanoscience and Advanced Materials Zunger NATURE COMMUNICATIONS, 2023, 14, 5301 window.location.href = `https://doi.org/10.1038/s41467-023-40877-8`;

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Traditional 0 On White ]]> Thu, 31 Aug 2023 06:00:00 +0000 Anonymous 638 at /rasei /rasei/2023/07/21/insulating-band-gaps-both-below-and-above-n%C3%A9el-temperature-d-electron-latio3-lavo3-srmno3 Insulating band gaps both below and above the Néel temperature in d-electron LaTiO3, LaVO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event Anonymous (not verified) Fri, 07/21/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Perovskites Solar Power Zunger PHYSICAL REVIEW B, 2023, 074406 window.location.href = `https://doi.org/10.1103/PhysRevMaterials.7.074406`;

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Traditional 0 On White ]]> Fri, 21 Jul 2023 06:00:00 +0000 Anonymous 636 at /rasei /rasei/2023/04/29/degeneracy-removal-spin-bands-collinear-antiferromagnets-non-interconvertible-spin Degeneracy Removal of Spin Bands in Collinear Antiferromagnets with Non-Interconvertible Spin-Structure Motif Pair Anonymous (not verified) Sat, 04/29/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Energy Generation Nanoscience and Advanced Materials Zunger ADVANCED MATERIALS, 2023, 35, 31, 2211966 window.location.href = `https://doi.org/10.1002/adma.202211966`;

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Traditional 0 On White ]]> Sat, 29 Apr 2023 06:00:00 +0000 Anonymous 690 at /rasei /rasei/2023/02/07/hidden-zeeman-type-spin-polarization-bulk-crystals Hidden Zeeman-type spin polarization in bulk crystals Anonymous (not verified) Tue, 02/07/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Zunger PHYSICAL REVIEW B, 2023, 107, L081201 window.location.href = `https://doi.org/10.1103/PhysRevB.107.L081201`;

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Traditional 0 On White ]]> Tue, 07 Feb 2023 07:00:00 +0000 Anonymous 718 at /rasei /rasei/2023/02/01/rise-and-fall-mott-insulating-gaps-ynio3-paramagnets-reflection-symmetry-breaking-and Rise and fall of Mott Insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking Anonymous (not verified) Wed, 02/01/2023 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Semiconductors Zunger PHYSICAL REVIEW MATERIALS, 2023, 7, 044409 window.location.href = `https://doi.org/10.1103/PhysRevMaterials.7.044409`;

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Traditional 0 On White ]]> Wed, 01 Feb 2023 07:00:00 +0000 Anonymous 688 at /rasei /rasei/2022/10/10/density-functional-description-spin-lattice-and-spin-lattice-dynamics-antiferromagnetic Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures Anonymous (not verified) Mon, 10/10/2022 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Energy Generation Nanoscience and Advanced Materials Zunger Phys. Rev. B., 2022, 106, 134406 window.location.href = `https://doi.org/10.1103/PhysRevB.106.134406`;

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Traditional 0 On White ]]> Mon, 10 Oct 2022 06:00:00 +0000 Anonymous 107 at /rasei /rasei/2022/09/26/bridging-gap-between-density-functional-theory-and-quantum-materials Bridging the gap between density functional theory and quantum materials Anonymous (not verified) Mon, 09/26/2022 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Nanoscience and Advanced Materials Zunger Nature Computational Science, 2022, 2, 529-532

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Traditional 0 On White ]]> Mon, 26 Sep 2022 06:00:00 +0000 Anonymous 122 at /rasei /rasei/2022/08/20/density-functional-thermodynamic-description-spin-phonon-and-displacement-degrees-freedom Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3 Anonymous (not verified) Sat, 08/20/2022 - 00:00 Categories: Publication Tags: Computational Modeling Energy Applications Energy Generation Nanoscience and Advanced Materials Zunger Materials Today Physics, 2022, 27, 100805 window.location.href = `https://doi.org/10.1016/j.mtphys.2022.100805`;

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Traditional 0 On White ]]> Sat, 20 Aug 2022 06:00:00 +0000 Anonymous 124 at /rasei