Dataset: Compensation Doping of the Qubit Host Ba2CaWO6-δ

Dataset associated with https://doi.org/10.1016/j.mtquan.2025.100029 which synthesized single crystals of nominal composition Ba2CaW1-xMxO6-δ (M = Zr4+, Ge4+) for x = 0-0.20. Electron paramagnetic resonance (EPR) and DC magnetic susceptibility measurements were used to understand the changes in spin-active defects as a function of substitution. We find that x = 0.01 (M = Zr4+) and x = 0.03 (M = Ge4+) are sufficient to quench the W5+ S = ½ EPR response (g = 2.00) within our limit of detection. Further substitution results in the appearance of a narrow S = ½ response (g = 1.98-2.00) that again fades away at higher compositions. The data support the conclusion that compensation doping is an effective strategy for modulation of single ion centers in Ba2CaWO6-δ and identify future steps that are needed to bring such complex materials to viability for QIS technologies, including proposal of an easily measured figure of merit for rapid materials iteration and optimization.

本数据集关联于DOI为10.1016/j.mtquan.2025.100029的研究工作，针对标称组成为Ba₂CaW₁₋ₓMₓO₆₋δ（M=Zr⁴+、Ge⁴+）的单晶开展合成实验，掺杂参数x的取值范围为0~0.20。采用电子顺磁共振（Electron Paramagnetic Resonance, EPR）与直流磁化率测试手段，探究了自旋活性缺陷随掺杂取代的演化规律。
研究发现，在本研究的检测限内，x=0.01（M=Zr⁴+）与x=0.03（M=Ge⁴+）即可完全淬灭W⁵+的S=½电子顺磁共振响应（g因子为2.00）。进一步提升掺杂量时，会出现一条窄化的S=½顺磁共振响应（g因子范围为1.98~2.00），且该响应在更高掺杂配比下逐渐消失。
本数据集的实验数据佐证了补偿掺杂作为调控Ba₂CaWO₆₋δ中单离子中心的有效策略这一结论，并明确了将这类复杂材料应用于量子信息科学（Quantum Information Science, QIS）技术所需的后续研究方向，包括提出一种便于快速开展材料迭代与优化的可测量品质因数。