可用作量子比特的一种负价态VSiON缺陷中心

doi:10.3969/j.issn.1000-5641.2017.02.013

华东师范大学学报(自然科学版) ›› 2017, Vol. 2017 ›› Issue (2): 97-106.doi: 10.3969/j.issn.1000-5641.2017.02.013

可用作量子比特的一种负价态V_SiO_N缺陷中心

沈宇皓¹, 唐政¹, 彭伟²

1. 华东师范大学极化材料与器件重点实验室, 上海 200241;
2. 华东师范大学信息化办公室, 上海 200062

收稿日期:2016-03-16 出版日期:2017-03-25 发布日期:2017-03-23
作者简介:沈宇皓,男,硕士研究生,研究方向为半导体材料物理.E-mail:slyhb2126@163.com
基金资助:
国家杰出青年科学基金（61425004）

A negatively charged V_SiO_N center for implementation as qubit

SHEN Yu-hao¹, TANG Zheng¹, PENG Wei²

1. Key Laboratory of Polar Materials and Devices, East China Normal University, Shanghai 200241, China;
2. Information Technology Services Center, East China Normal University, Shanghai 200062, China

Received:2016-03-16 Online:2017-03-25 Published:2017-03-23

摘要/Abstract

摘要：

γ相Si₃N₄是一种超硬氮基化合陶瓷材料，在其尖晶石结构中硅原子分别占据四面体于八面体配位格点.基于第一性原理计算，研究了这种材料之中一种氧空位复合体V_SiO_N缺陷中心的不同价态下自旋极化的电子结构以及能量稳定性，其中该缺陷中心由四面体配位的硅空位复合紧邻替位氧原子而成.发现负一价态的该缺陷中心V_SiO_N^-1在p型主体材料中是较为稳定的存在，并满足净自旋S=1的基态三重态，以及低激发能量的自旋守恒跃迁.通过平均场近似，将其在绝对零度下的自旋相干寿命估计为0.4 s，室温下可达毫秒量级.因此理论上表明了V_SiO_N^-1缺陷中心是可用作量子比特的相干操控的潜在候选者.

关键词: 第一性原理计算, 自旋极化电子结构, 自旋相干时间, 色心的量子比特操控

Abstract:

γ-Si₃N₄ is a nitrogen-based ultra-hard ceramic with Si atoms occupying both tetrahedral and octahedral sites in a spinel structure. Based on first-principles calculations, we investigate spin-polarized electronic structures and energetic stabilities of oxygenvacancy complex center (V_SiO_N) consisting of a substituted oxygen atom and an adjacent tetrahedrally coordinated silicon vacancy in spinel silicon nitride (γ-Si₃N₄) with different charge states. We find that the negatively charged V_SiO_N^-1 center is stable in the p-type γ-Si₃N₄ and the defect center possesses an S=1 triplet ground state and a spin-conserved excited state with low excitation energy. By using a mean-field approximation, we estimate that the spin coherence time of V_SiO_N is 0.4 s at T=0 K, which indicates that the V_SiO_N^-1 center is a promising candidate for spin coherent manipulation and qubit operation.

Key words: first-principles calculations, spin-polarized electronic structures, spin coherent time, qubit operation of color centers

中图分类号:

O469

沈宇皓, 唐政, 彭伟. 可用作量子比特的一种负价态V_SiO_N缺陷中心[J]. 华东师范大学学报(自然科学版), 2017, 2017(2): 97-106.

SHEN Yu-hao, TANG Zheng, PENG Wei. A negatively charged V_SiO_N center for implementation as qubit[J]. Journal of East China Normal University(Natural Sc, 2017, 2017(2): 97-106.

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可用作量子比特的一种负价态V_SiO_N缺陷中心

A negatively charged V_SiO_N center for implementation as qubit

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可用作量子比特的一种负价态VSiON缺陷中心

A negatively charged VSiON center for implementation as qubit

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可用作量子比特的一种负价态V_SiO_N缺陷中心

A negatively charged V_SiO_N center for implementation as qubit