Zunger /rasei/ en Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites /rasei/2024/06/01/impact-symmetry-breaking-and-spin-orbit-coupling-band-gap-halide-perovskites <span>Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2024-06-01T00:00:00-06:00" title="Saturday, June 1, 2024 - 00:00">Sat, 06/01/2024 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2024_06_01_PhysRevB_RASEI%20Thumbnail.png?h=ab75dbce&amp;itok=FgzxOi7k" width="1200" height="600" alt="TOC publication graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/287" hreflang="en">Perovskites</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>PHYSICAL REVIEW B, 2024, 110, 035160</div> <script> window.location.href = `https://doi.org/10.1103/PhysRevB.110.035160`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Sat, 01 Jun 2024 06:00:00 +0000 Anonymous 1047 at /rasei Light-Induced Frenkel Defect Pair Formation Can Lead to Phase-Segregation of Otherwise Miscible Halide Perovskite Alloys /rasei/2023/10/11/light-induced-frenkel-defect-pair-formation-can-lead-phase-segregation-otherwise-miscible <span>Light-Induced Frenkel Defect Pair Formation Can Lead to Phase-Segregation of Otherwise Miscible Halide Perovskite Alloys</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-10-11T00:00:00-06:00" title="Wednesday, October 11, 2023 - 00:00">Wed, 10/11/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_10_11_AdvEngMat.png?h=4e5d98c1&amp;itok=YNM2YCo6" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/287" hreflang="en">Perovskites</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>ADVANCED ENERGY MATERIALS, 2023, 2301539</div> <script> window.location.href = `https://doi.org/10.1002/aenm.202301539`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Wed, 11 Oct 2023 06:00:00 +0000 Anonymous 626 at /rasei Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets /rasei/2023/08/31/uncovering-spin-orbit-coupling-independent-hidden-spin-polarization-energy-bands <span>Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-08-31T00:00:00-06:00" title="Thursday, August 31, 2023 - 00:00">Thu, 08/31/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_08_31_NatureComms.png?h=6a6213fd&amp;itok=BhrJWbQh" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/266" hreflang="en">Energy Generation</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>NATURE COMMUNICATIONS, 2023, 14, 5301</div> <script> window.location.href = `https://doi.org/10.1038/s41467-023-40877-8`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Thu, 31 Aug 2023 06:00:00 +0000 Anonymous 638 at /rasei Insulating band gaps both below and above the Néel temperature in d-electron LaTiO3, LaVO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event /rasei/2023/07/21/insulating-band-gaps-both-below-and-above-n%C3%A9el-temperature-d-electron-latio3-lavo3-srmno3 <span>Insulating band gaps both below and above the Néel temperature in d-electron LaTiO3, LaVO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-07-21T00:00:00-06:00" title="Friday, July 21, 2023 - 00:00">Fri, 07/21/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_07_21_PhysRevB.png?h=165c1cd1&amp;itok=OFrp6FNa" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/287" hreflang="en">Perovskites</a> <a href="/rasei/taxonomy/term/273" hreflang="en">Solar Power</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>PHYSICAL REVIEW B, 2023, 074406</div> <script> window.location.href = `https://doi.org/10.1103/PhysRevMaterials.7.074406`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Fri, 21 Jul 2023 06:00:00 +0000 Anonymous 636 at /rasei Degeneracy Removal of Spin Bands in Collinear Antiferromagnets with Non-Interconvertible Spin-Structure Motif Pair /rasei/2023/04/29/degeneracy-removal-spin-bands-collinear-antiferromagnets-non-interconvertible-spin <span>Degeneracy Removal of Spin Bands in Collinear Antiferromagnets with Non-Interconvertible Spin-Structure Motif Pair</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-04-29T00:00:00-06:00" title="Saturday, April 29, 2023 - 00:00">Sat, 04/29/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_04_29_AdvancedMaterials.png?h=c3330bfe&amp;itok=5GoRRMRh" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/266" hreflang="en">Energy Generation</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>ADVANCED MATERIALS, 2023, 35, 31, 2211966</div> <script> window.location.href = `https://doi.org/10.1002/adma.202211966`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Sat, 29 Apr 2023 06:00:00 +0000 Anonymous 690 at /rasei Hidden Zeeman-type spin polarization in bulk crystals /rasei/2023/02/07/hidden-zeeman-type-spin-polarization-bulk-crystals <span>Hidden Zeeman-type spin polarization in bulk crystals</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-02-07T00:00:00-07:00" title="Tuesday, February 7, 2023 - 00:00">Tue, 02/07/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_02_07_PhysRevB.png?h=8fe2fdd6&amp;itok=m2uhR6nb" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>PHYSICAL REVIEW B, 2023, 107, L081201</div> <script> window.location.href = `https://doi.org/10.1103/PhysRevB.107.L081201`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Tue, 07 Feb 2023 07:00:00 +0000 Anonymous 718 at /rasei Rise and fall of Mott Insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking /rasei/2023/02/01/rise-and-fall-mott-insulating-gaps-ynio3-paramagnets-reflection-symmetry-breaking-and <span>Rise and fall of Mott Insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2023-02-01T00:00:00-07:00" title="Wednesday, February 1, 2023 - 00:00">Wed, 02/01/2023 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2023_02_01_PhysRevMat.png?h=897d1e7f&amp;itok=SCarSqX5" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/290" hreflang="en">Semiconductors</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>PHYSICAL REVIEW MATERIALS, 2023, 7, 044409</div> <script> window.location.href = `https://doi.org/10.1103/PhysRevMaterials.7.044409`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Wed, 01 Feb 2023 07:00:00 +0000 Anonymous 688 at /rasei Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures /rasei/2022/10/10/density-functional-description-spin-lattice-and-spin-lattice-dynamics-antiferromagnetic <span>Density functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2022-10-10T00:00:00-06:00" title="Monday, October 10, 2022 - 00:00">Mon, 10/10/2022 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2022_10_10_PhysRevB.png?h=17c37e4d&amp;itok=qg9ml0Vx" width="1200" height="600" alt="Publications TOC Image"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/266" hreflang="en">Energy Generation</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>Phys. Rev. B., 2022, 106, 134406</div> <script> window.location.href = `https://doi.org/10.1103/PhysRevB.106.134406`; </script> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Mon, 10 Oct 2022 06:00:00 +0000 Anonymous 107 at /rasei Bridging the gap between density functional theory and quantum materials /rasei/2022/09/26/bridging-gap-between-density-functional-theory-and-quantum-materials <span>Bridging the gap between density functional theory and quantum materials</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2022-09-26T00:00:00-06:00" title="Monday, September 26, 2022 - 00:00">Mon, 09/26/2022 - 00:00</time> </span> <div> <div class="imageMediaStyle focal_image_wide"> <img loading="lazy" src="/rasei/sites/default/files/styles/focal_image_wide/public/article-thumbnail/2022_9_26_NatureCompSci.png?h=ad648513&amp;itok=RShy7L_4" width="1200" height="600" alt="Publication TOC Graphic"> </div> </div> <div role="contentinfo" class="container ucb-article-categories" itemprop="about"> <span class="visually-hidden">Categories:</span> <div class="ucb-article-category-icon" aria-hidden="true"> <i class="fa-solid fa-folder-open"></i> </div> <a href="/rasei/taxonomy/term/43"> Publication </a> </div> <div role="contentinfo" class="container ucb-article-tags" itemprop="keywords"> <span class="visually-hidden">Tags:</span> <div class="ucb-article-tag-icon" aria-hidden="true"> <i class="fa-solid fa-tags"></i> </div> <a href="/rasei/taxonomy/term/280" hreflang="en">Computational Modeling</a> <a href="/rasei/taxonomy/term/269" hreflang="en">Energy Applications</a> <a href="/rasei/taxonomy/term/274" hreflang="en">Nanoscience and Advanced Materials</a> <a href="/rasei/taxonomy/term/109" hreflang="en">Zunger</a> </div> <div class="ucb-article-content ucb-striped-content"> <div class="container"> <div class="paragraph paragraph--type--article-content paragraph--view-mode--default"> <div class="ucb-article-content-media ucb-article-content-media-above"> <div> <div class="paragraph paragraph--type--media paragraph--view-mode--default"> </div> </div> </div> <div class="ucb-article-text d-flex align-items-center" itemprop="articleBody"> </div> </div> </div> </div> <div>Nature Computational Science, 2022, 2, 529-532</div> <h2> <div class="paragraph paragraph--type--ucb-related-articles-block paragraph--view-mode--default"> <div>Off</div> </div> </h2> <div>Traditional</div> <div>0</div> <div>On</div> <div>White</div> Mon, 26 Sep 2022 06:00:00 +0000 Anonymous 122 at /rasei Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3 /rasei/2022/08/20/density-functional-thermodynamic-description-spin-phonon-and-displacement-degrees-freedom <span>Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3</span> <span><span>Anonymous (not verified)</span></span> <span><time datetime="2022-08-20T00:00:00-06:00" title="Saturday, August 20, 2022 - 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