2019/05/31 by Rodrick Kuate Defo, Efthimios Kaxiras, Steven L. Richardson
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Carbon fibers #Chemical physics #Chemistry #Coherence (philosophical gambling strategy) #Composite number #Computational chemistry #Condensed matter physics #Density functional theory #Diamond #Diamond and Carbon-based Materials Research #Ion-surface interactions and analysis #Materials science #Metal and Thin Film Mechanics #Organic chemistry #Physics #Quantum mechanics #Spin (aerodynamics) #Thermodynamics #Vacancy defect #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.5123227
published as Journal of Applied Physics 126, 195103 (2019) · 19 pages, 7 figures
openalex publication_date 2019/11/18 · arxiv created 2020/03/24 · arxiv updated 2020/03/26 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Recently, there has been much interest in using Group IV elements from the periodic table to fabricate and study XV color centers in diamond, where X=Si, Ge, Sn, or Pb and V is a carbon vacancy. These Group IV color centers have a number of interesting spin and optical properties, which could potentially make them better candidates than NV− centers for important applications in quantum computing and quantum information processing. Unfortunately, the very same ion implantation process that is required to create these XV color centers in diamond necessarily also produces many carbon vacancies (VC), which can form complexes with these color centers (VC−XV) that can dramatically affect the properties of the isolated XV color centers. The main focus of this work is to use density-functional theory to study the thermodynamics and kinetics of the formation of these VC−XV complexes and to suggest experimental ways to impede this process such as varying the Fermi level of the host diamond material through chemical doping or applying an external electrical bias. We also include a discussion of how the simple presence of many VC can negatively impact the spin coherence times (T2) of Group IV color centers through the presence of acoustic phonons.