Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session T00: Poster Session III (1pm- 4pm CST)
1:00 PM,
Thursday, March 17, 2022
Room: McCormick Place Exhibit Hall F1
Abstract: T00.00070 : Effect of Mechanical Strain on the Electronic and Magnetic Properties of UTe 2*
Presenter:
Jalen Garner
(Howard University)
Authors:
Jalen Garner
(Howard University)
Kevin F Garrity
(NIST)
Francesca Tavazza
(NIST)
Sugata Chowdhury
(Howard University)
superconductivity, leading to an emergent research path for quantum materials science. Recently, Uranium-based
compounds such as UGe 2, UReGe, and UCoGe, have been studied due to their wide range of physical attributes. Among
them, a newly rediscovered unconventional superconductor, UTe 2 has attracted large attention due to evidence of the
spin-triplet state and magnetic phase transitions under external magnetic fields. U-based superconductors are
challenging for traditional density functional theory (DFT) electronic structure methods due to the unphysical electron
self-interaction that tends to delocalize the d & f orbitals. The DFT+U method helps correct this error by imposing a
penalty on partially occupied orbitals, encouraging localization, and improving the electronic structure. However, the
value of U has to be determined on a case-by-case basis. Using first-principle calculations, in this work, we screened for
an appropriate exchange-correlation function and U parameter to reproduce known electronic structure characteristics of
the material. We then used such model to identify the UTe 2 magnetic ground state. Continuing this work, the selected
computational parameters will be used to probe the mechanical properties and band structure of UTe 2 as a function of
tensile and compressive strain. We hope our work will provide guidance about how to tune the properties of UTe 2 using
mechanical strain.
*NIST Summer Undergraduate Research Fellowship;(Howard) IBM HBCU Quantum Center
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