Thermoelectrics -- First-principles Simulation
FOCUS · X47
Presentations
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First-principles Review of Thermoelectric Properties of CuFeS2 and the Effect of Nanostructuring
ORAL
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Presenters
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Junsoo Park
Materials Science & Engineering, University of California, Los Angeles
Authors
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Junsoo Park
Materials Science & Engineering, University of California, Los Angeles
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Yi Xia
Materials Science & Engineering, Northwestern University, Materials Science and Engineering, Northwestern University, Argonne National Lab, Northwestern University
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Vidvuds Ozolins
Applied Physics, Yale University, Yale Univ
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Structural and electronic properties of ferroelectric domain walls in GeTe from first principles
ORAL
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Presenters
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Djordje Dangic
Tyndall National Institute, Cork, Ireland
Authors
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Djordje Dangic
Tyndall National Institute, Cork, Ireland
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Éamonn Murray
Imperial College London, UK, Department of Physics and Department of Materials, Imperial College London, Department of Materials and Department of Physics, Imperial College London
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Stephen B Fahy
University College Cork, University College Cork, Ireland, Department of Physics, University College Cork, Department of Physics, University College Cork, Cork, Ireland, Materials Theory, Tyndall National Institute
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Ivana Savic
Tyndall National Institute, Tyndall National Institute, Cork, Ireland, Materials Theory, Tyndall National Institute
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Investigation of the structural, electronic and thermoelectric properties of GeX (X=S, Se, Te) monochalcogenides
ORAL
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Presenters
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Aida Sheibani
University of Arkansas
Authors
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Aida Sheibani
University of Arkansas
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Raad Haleoot
University of Arkansas
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Bothina Hamad
University of Arkansas
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First-principles Study of Phonon Drag Effect in SiGe Alloys
ORAL
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Presenters
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Qian Xu
Department of Mechanical Engineering, Massachusetts Institute of Technology
Authors
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Qian Xu
Department of Mechanical Engineering, Massachusetts Institute of Technology
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Jiawei Zhou
Department of Mechanical Engineering, Massachusetts Institute of Technology, Massachusetts Institute of Technology
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Te-Huan Liu
Department of Mechanical Engineering, Massachusetts Institute of Technology, Massachusetts Institute of Technology
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Gang Chen
Department of Mechanical Engineering, Massachusetts Institute of Technology, Mechanical Engineering, Massachusetts Institute of Technology, Massachusetts Institute of Technology
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Thermoelectric properties of ternary chalcogenides and oxides from first principles calculations
ORAL
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Presenters
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Hitoshi Mori
Osaka University
Authors
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Hitoshi Mori
Osaka University
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Masayuki Ochi
Department of Physics, Osaka University, Osaka University
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Hidetomo Usui
Department of Physics, Osaka University, Osaka University
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Kazuhiko Kuroki
Department of Physics, Osaka University, Osaka University
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Lone-pair Driven Thermoelectrics at Room Temperature
ORAL
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Presenters
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Saikat Mukhopadhyay
United States Naval Research Laboratory
Authors
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Saikat Mukhopadhyay
United States Naval Research Laboratory
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Thomas Reinecke
United States Naval Research Laboratory, Quantum Phenomena and Modeling Section, Naval Research Laboratory
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A search for good semi-metallic thermoelectric materials
ORAL
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Presenters
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Mona Zebarjadi
University of Virginia
Authors
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Mona Zebarjadi
University of Virginia
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Maxime Markov
University of Virginia
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Seyed Emad Rezaei
University of Virginia
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Safoura Nayeb Sadeghi
University of Virginia
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Keivan Esfarjani
University of Virginia
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Temperature effects on the thermoelectric properties of PbTe: a first-principles study
ORAL
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Presenters
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Jiang Cao
Tyndall National Institute
Authors
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Jiang Cao
Tyndall National Institute
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Jose Querales-Flores
Tyndall National Institute, Materials Theory, Tyndall National Institute
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Aoife R. Murphy
Tyndall National Institute
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Stephen B Fahy
University College Cork, University College Cork, Ireland, Department of Physics, University College Cork, Department of Physics, University College Cork, Cork, Ireland, Materials Theory, Tyndall National Institute
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Ivana Savic
Tyndall National Institute, Tyndall National Institute, Cork, Ireland, Materials Theory, Tyndall National Institute
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Electrical and thermal properties of 2D semimetallic transition metal dichalcogenides TiSe2 and ZrTe2
ORAL
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Presenters
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Keivan Esfarjani
University of Virginia
Authors
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Seyed Emad Rezaei
University of Virginia
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Safoura Nayebsadeghi
University of Virginia
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Mona Zebarjadi
University of Virginia
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Keivan Esfarjani
University of Virginia
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Thermal Transport of Part-crystalline Part-liquid Materials
Invited
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Presenters
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Wenqing Zhang
Department of Physics, Souther University of Science and Technology
Authors
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Wenqing Zhang
Department of Physics, Souther University of Science and Technology
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Abstract Withdrawn
ORAL Withdrawn
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First principles study on the thermoelectric properties of delafossite compounds
ORAL
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Presenters
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Hidetomo Usui
Department of Physics, Osaka University, Osaka University
Authors
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Hidetomo Usui
Department of Physics, Osaka University, Osaka University
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Kazuhiko Kuroki
Department of Physics, Osaka University, Osaka University
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First-principles study of LaOBiPbS<sub>3</sub> and its analogous compounds as thermoelectric materials
ORAL
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Presenters
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Keiya Kurematsu
Department of Physics, Osaka University
Authors
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Keiya Kurematsu
Department of Physics, Osaka University
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Masayuki Ochi
Department of Physics, Osaka University, Osaka University
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Hidetomo Usui
Department of Physics, Osaka University, Osaka University
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Kazuhiko Kuroki
Department of Physics, Osaka University, Osaka University
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