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Density functional theory
Spectroscopy and DFT agree on the compound’s stability and reactivity
May 19, 2026
Silicon diffusion in GaN is highly limited
May 18, 2026
Two-dimensional MOFs can be tuned for altermagnetic spin splitting
May 17, 2026
Symmetry-linked orbital selectivity identified in monolayer FeSe
May 17, 2026
Machine-learned potential matches DFT for CoCrFeNi and CoCrNi
May 15, 2026
Ga-doped ScMn6Sn6 shows ferromagnetism, Dirac cone, and flat band
May 14, 2026
YbV3Sb4 shows metallic behavior and strong topology
May 13, 2026
Anion correlations change spin splitting in rutile antiferromagnets
May 12, 2026
Machine-learned model finds different two-level systems in amorphous silicon
May 12, 2026
Screening identifies 180 altermagnetic materials with spin splitting
April 29, 2026
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