Tuesday, March 6, 2018
11:15AM - 11:51AM
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F21.00001: Towards a comprehensive DFT theory of the anti-ferromagnetic and paramagnetic phases of the classic Mott insulators MnO, FeO, CoO, and NiO
Invited Speaker:
Giancarlo Trimarchi
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Tuesday, March 6, 2018
11:51AM - 12:03PM
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F21.00002: Orbital re-polarization transition in multiferroic Ca3Ru2O7
Zheting Jin, Wei Ku
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Tuesday, March 6, 2018
12:03PM - 12:15PM
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F21.00003: Interplay between pressure, anion order, and octahedral tilts in perovskite oxyfluorides
Richard Saballos, James Rondinelli
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Tuesday, March 6, 2018
12:15PM - 12:27PM
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F21.00004: Accurate first-principles description of the antiferromagnetic state of La2CuO4
Christopher Lane, James Furness, Ioana Buda, Yubo Zhang, Robert Markiewicz, Bernardo Barbiellini, Jianwei Sun, Arun Bansil
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Tuesday, March 6, 2018
12:27PM - 12:39PM
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F21.00005: Magnetically-driven orbital-selective insulator-to-metal transition in double perovskite oxides
Hanghui Chen
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Tuesday, March 6, 2018
12:39PM - 12:51PM
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F21.00006: Effects of "Stuffing'' on the Atomic and Electronic Structure of the Pyrochlore Yb2Ti2O7
Soham Ghosh, Efstratios Manousakis
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Tuesday, March 6, 2018
12:51PM - 1:03PM
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F21.00007: Ferroelectric Behavior of PZT-BCO-BFO Solid Solutions
David Parker, Simuck Yuk, Valentino Cooper
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Tuesday, March 6, 2018
1:03PM - 1:15PM
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F21.00008: Nonlinear Optical Susceptibility and Ferroic Domains in Polar Metals
Haricharan Padmanabhan, Shiming Lei, Zhiqiang Mao, Jak Chakhalian, Venkatraman Gopalan
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Tuesday, March 6, 2018
1:15PM - 1:27PM
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F21.00009: Density-Functional Description of Bond Disproportionation in ABO3 Compounds Into Different Local Environments for the Same B Chemical Element
Gustavo Dalpian, Qihang Liu, Alex Zunger
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Tuesday, March 6, 2018
1:27PM - 1:39PM
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F21.00010: Upper Limits of Magnetization, Curie Temperature, and Magnetic Anisotropy of Permanent Magnet Materials
Hisazumi Akai
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Tuesday, March 6, 2018
1:39PM - 1:51PM
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F21.00011: Theoretical approach to control tetragonal distortion in Heuslers for large magnetocrystalline anisotropy
Yu-ichiro Matsushita, Galia Madjarova, John Dewhurst, Sangeeta Sharma, Eberhard K Gross
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Tuesday, March 6, 2018
1:51PM - 2:03PM
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F21.00012: Temperature dependent Ab initio study of magnetic materials
Matthew Heine, Olle Hellman, David Broido
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Tuesday, March 6, 2018
2:03PM - 2:15PM
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F21.00013: First-principles studies of the electronic and structural properties of vanadium dioxide and characterization of VO2 (011) surfaces
Jakub Planer, Josef Redinger, Florian Mittendorfer
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