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SUMMARY:Quantitatively calculate the magnetoresistance and Hall effect of 
 real materials from first principles
DTSTART:20250114T111500
DTSTAMP:20260511T053738Z
UID:6bd1e92c4d7456f5f0d9d5c703f5bc3aae0cb31fa61a8b32de8d8c92
CATEGORIES:Conferences - Seminars
DESCRIPTION:Dr. Quansheng Wu Institute of Physics\, Chinese Academy of Sci
 ences\, Beijing\, China\nThis talk will introduce a method that combines f
 irst-principles calculations with semiclassical Boltzmann transport theory
  to quantitatively calculate the magnetoresistance (MR) and Hall effect in
  real materials including non-magnetic metals\, semimetals\, semiconductor
 s\, and magnetic materials. It discusses the unsaturated MR and anisotropi
 c MR effects in both topologically trivial and topological materials\, rev
 ealing the crucial roles of carrier compensation\, open orbit mechanisms\,
  and Fermi surface topology. The study shows that theoretical predictions 
 are highly consistent with low-temperature experimental results in typical
  metals\, semimetals\, and Weyl semimetals\, and also discovers that Kohle
 r's rule applies to Hall resistivity\, clarifying the proportional relatio
 nships and intrinsic laws between ordinary Hall effect and anomalous Hall 
 effect. For the anomalous resistance peaks and Hall resistivity sign rever
 sals in narrow-gap semiconductors\, we propose a unified explanation based
  on multicarrier dynamics and Fermi surface geometry. The introduced new m
 ethod successfully explains the complex magnetoresistance and Hall effect 
 behaviors in magnetic materials\, aligning closely with experiments\, high
 lighting the decisive role of Fermi surface shape and average scattering t
 ime on transport properties. We will also introduce a new interpretation o
 f the peculiar behavior of the rho-T curves under magnetic fields. Our tal
 k provides a new theoretical framework for understanding magnetotransport 
 phenomena and opens new avenues for material classification and characteri
 stic characterization.\n\n \n\n\nReferences:  \n1. Magnetoresistance fr
 om Fermi surface topology\, SN Zhang\, QS Wu*\, Y Liu\, OV Yazyev*\, Phys
 ical Review B 99\, 035142 (2019).\n\n2. Complex field-\, temperature-\, an
 d angle-dependent Hall effects from intrinsic Fermi surface revealed by fi
 rst-principles calculations\, SN Zhang\, Z Liu\, H Pi\, Z Fang\, H Weng*\,
  QS Wu*\, Physical Review B 110\, 205132 (2024)\n\n3. Combined first-prin
 ciples and Boltzmann transport theory methodology for studying\n\n magnet
 otransport in magnetic materials\, Z Liu\, S Zhang\, Z Fang\, H Weng*\, Q
  Wu*\, Physical Review Research 6\, 043185 (2024)\n\n4. First principles m
 ethodology for studying magnetotransport in narrow gap semiconductors with
 \n\n ZrTe5 example\, Hanqi Pi\, Shengnan Zhang*\, Yang Xu\, Zhong Fang\, 
 Hongming Weng* and Quansheng Wu*\, npj Computational Materials 10\, 276
  (2024)\n\n5. The inadequacy of the ρ-T curve for phase transitions in t
 he presence of magnetic fields\, Shengnan Zhang\, Zhong Fang\, Hongming We
 ng\, Quansheng Wu*\, arXiv:2405.15981 (2024)\n\n6. WannierTools\, https:
 //www.wanniertools.org/\n
LOCATION:PH L1 503 https://plan.epfl.ch/?room==PH%20L1%20503
STATUS:CONFIRMED
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