60 citations · 136 across the 7 of their papers we have counts for
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Charge-State Stability of Color Centers in Wide-Bandgap Semiconductors
Rodrick Kuate Defo, Alejandro W. Rodriguez, Steven L. Richardson
The NV color center in diamond has been extensively investigated for quantum sensing, computation, and communication applications. Nonetheless, charge-state decay from the NV$^…
Theoretical Investigation of Charge Transfer Between Two Defects in a Wide-Bandgap Semiconductor
Rodrick Kuate Defo, Alejandro W. Rodriguez, Efthimios Kaxiras +1
Charge traps in the semiconductor bulk (bulk charge traps) make it difficult to predict the electric field within wide-bandgap semiconductors. The issue is the daunting number of b…
Calculating the Hyperfine Tensors for Group-IV Impurity-Vacancy Centers in Diamond: A Hybrid Density-Functional Theory Approach
Rodrick Kuate Defo, Efthimios Kaxiras, Steven L. Richardson
The hyperfine interaction is an important probe for understanding the structure and symmetry of defects in a semiconductor. Density-functional theory has shown that it can provide…
How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics
Rodrick Kuate Defo, Efthimios Kaxiras, Steven L. Richardson
Recently there has been much interest in using Group IV elements from the Periodic Table to fabricate and study X color centers in diamond where X = Si, Ge, Sn, or Pb and is…
Incommensurate Transverse Anisotropy Induced by Disorder and Spin-Orbit-Vibron Coupling in Mn12-acetate
Kyungwha Park, Mark R. Pederson, Tunna Baruah +7
It has been shown within density-functional theory that in Mn-acetate there are effects due to disorder by solvent molecules and a coupling between vibrational and electroni…
Electronic structure and rebonding in the onion-like As@Ni12@As20 cluster
Tunna Baruah, Rajendra R. Zope, Steven L. Richardson +2
We present the first ab initio study of the geometry, electronic structure, charged states, bonding and vibrational modes of the recently synthesized fullerene-like As@Ni12@As20 cl…