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Triplet and Singlet Electronic States of a Local Neutral Defect in Hexagonal AlN with Excitation Profile Favorable for Solid-State Spin Qubit Applications: An Ab initio Study

This work was supported by the grant DE-SC0024487 funded by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division, Office of Basic Energy Sciences. This work was supported by the University of Central Florida Advanced Research  Computing Centre, which provided computational resources. URL: https://arcc.ist.ucf.edu. APS March Meeting 2024 Minneapolis Tu 2pm

Pt17Fe17

See any of the 96 eigenmodes of nonvanishing frequency of Pt17Fe17 by clicking on the links displayed below. In order to better appreciate the vibration, I provide the “top” and “side” views of the nanoparticle for each eigenmode in front of the corresponding eigenfrequency (given in meV).     1.39 top / side 5.25 top […]

Pt27Fe7

See any of the 96 eigenmodes of nonvanishing frequency of Pt27Fe7 by clicking on the links displayed below. In order to better appreciate the vibration, I provide the “top” and “side” views of the nanoparticle for each eigenmode in front of the corresponding eigenfrequency (given in meV).     2.64 top / side 6.68 top […]

Pt20Fe18

See any of the 108 eigenmodes of nonvanishing frequency of Pt20Fe18 by clicking on the links displayed below. In order to better appreciate the vibration, I provide the “top” and “side” views of the nanoparticle for each eigenmode in front of the corresponding eigenfrequency (given in meV).     3.69 top / side 7.49 top […]

Cu38

See any of the 108 eigenmodes of nonvanishing frequency of Cu38 by clicking on the links displayed below. In order to better appreciate the vibration, I provide the “top” and “side” views of the nanoparticle for each eigenmode in front of the corresponding eigenfrequency (given in meV).       4.35 top / side 10.11 […]