| NSF Org: |
DMR Division Of Materials Research |
| Recipient: |
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| Initial Amendment Date: | August 10, 2012 |
| Latest Amendment Date: | August 10, 2012 |
| Award Number: | 1233118 |
| Award Instrument: | Standard Grant |
| Program Manager: |
Eva Campo
DMR Division Of Materials Research MPS Directorate for Mathematical and Physical Sciences |
| Start Date: | September 1, 2012 |
| End Date: | August 31, 2016 (Estimated) |
| Total Intended Award Amount: | $320,000.00 |
| Total Awarded Amount to Date: | $320,000.00 |
| Funds Obligated to Date: |
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| History of Investigator: |
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| Recipient Sponsored Research Office: |
201 ANDY HOLT TOWER KNOXVILLE TN US 37996-0001 (865)974-3466 |
| Sponsor Congressional District: |
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| Primary Place of Performance: |
Knoxville TN US 37996-0003 |
| Primary Place of
Performance Congressional District: |
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| Unique Entity Identifier (UEI): |
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| Parent UEI: |
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| NSF Program(s): | DMR SHORT TERM SUPPORT |
| Primary Program Source: |
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| Program Reference Code(s): |
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| Program Element Code(s): |
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| Award Agency Code: | 4900 |
| Fund Agency Code: | 4900 |
| Assistance Listing Number(s): | 47.049 |
ABSTRACT
****Technical Abstract****
The physics and chemistry of 5d transition-metal compounds is distinguished by strong spin-orbit coupling, which can have a dramatic effect on materials properties. The focus of this DMREF project is to improve our scientific understanding of materials containing 5d elements and harness their unusual properties to develop new functional materials. The project is a joint theoretical, computational, and experimental research effort built upon a materials discovery paradigm in which first-principles calculations will be used to scan through candidate materials, identifying promising candidates for directed synthesis and in-depth experimental study. Comparisons between theory and experiment will provide feedback to refocus the theoretical and computational effort. We seek a transformative acceleration of progress in our understanding of these materials, especially regarding the interplay between competing interactions that give rise to functional behavior. Our goals include (i) achieving large magnetocrystalline anisotropy in crystals with mixed 3d and 5d transition-metal ions; (ii) finding new topological insulators and materials with other novel topological band structures; (iii) demonstrating unusual superconducting pairing mechanisms or topological superconductivity; and (iv) developing materials with giant magnetoelectric, multiferroic, or magneto-optic effects.
****Non-Technical Abstract****
This DMREF project is directed toward a transformative improvement in our understanding of materials containing transition-metal ions from the 5d block of the periodic table. These elements are distinguished by a strong spin-orbit effect that tends to twist the spin of the electrons as they orbit around the nucleus, endowing these materials with useful or unusual magnetic, optical, and electronic properties. The project is built upon a materials discovery paradigm in which first-principles computational methods will be used to scan through candidate materials, identifying promising candidates for directed synthesis and in-depth experimental study. The immediate goal is to improve our scientific understanding of the competing interactions that give rise to functional behavior in this class of materials. Longer-term goals include achieving large magneto-crystalline anisotropy in crystals with mixed light and heavy transition-metal ions, finding new topological insulators, demonstrating unusual superconducting pairing mechanisms or topological superconductivity, and developing materials with giant magnetoelectric, multiferroic, or magneto-optic effects.
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH
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PROJECT OUTCOMES REPORT
Disclaimer
This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.
Our NSF DMREF-supported research program DMR-1233118 (Tennessee),
Collaborative Research: Enhanced functionalities in 5d transition metal compounds from large spin-orbit coupling, was directed at exploring how large spin-orbit coupling impacts the properties of materials. Highlights include:
1 - revealing how and why the series of metastable domain patterns in IrTe2 develops and the impact of these topologies on the hybridization, symmetry, and the optical response,
2 - uncovering the mechanism of the giant polarization, magnetoelectric coupling, and novel spin-flop transition in Ni3TeO6 along with a series of magnetically-driven transitions under field or temperature,
3 - using dynamical mean-field theory to successfully predict the metal-insulator transition and elucidate the nature of the Jeff =1/2 state in the Ruddlesden-Popper series of iridates, and
4 - predicting, synthesizing, and characterizing novel topological phases and Mott insulators in various correlated systems.
This program of research resulted in three publications (one in Phys. Rev. Lett. and two in Phys. Rev. B). In the materials genome spirit, 12 of these efforts would have been impossible without the significant theoretical-experimental feedback loop that is the hallmark of the materials genome initiative. In addition, 17 invited and contributed talks were presented
by DMREF-affiliated personnel at the University of Tennessee on science that emerged from this program. Outreach activities carried out under the auspices of this award include service to the National High Magnetic Field Laboratory and National Synchrotron Light Source, conference and workshop organization, and diversity efforts.
Last Modified: 10/29/2016
Modified by: Janice L Musfeldt
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