Influences of neutral oxygen vacancies and E1'centers on α-quartz

doi:10.1088/1674-1056/24/10/106105

中国物理B ›› 2015, Vol. 24 ›› Issue (10): 106105-106105.doi: 10.1088/1674-1056/24/10/106105

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Influences of neutral oxygen vacancies and E₁'centers on α-quartz

李会然^a, 程新路^{a b}, 张红^{a c}, 赵峰^d

a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
b Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China;
c College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;
d Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China

收稿日期:2015-03-17 修回日期:2015-06-28 出版日期:2015-10-05 发布日期:2015-10-05
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11176020 and 11374217) and the Doctoral Program of Higher Education of China (Grant No. 20100181110080).

Influences of neutral oxygen vacancies and E₁'centers on α-quartz

Li Hui-Ran (李会然)^a, Cheng Xin-Lu (程新路)^{a b}, Zhang Hong (张红)^{a c}, Zhao Feng (赵峰)^d

a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
b Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China;
c College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;
d Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China

Received:2015-03-17 Revised:2015-06-28 Online:2015-10-05 Published:2015-10-05
Contact: Cheng Xin-Lu E-mail:chengxl@scu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11176020 and 11374217) and the Doctoral Program of Higher Education of China (Grant No. 20100181110080).

摘要/Abstract

摘要：

Our calculations demonstrate that the concentration of neutral oxygen vacancies can affect the geometrical structrue, electronic structure, and optical properties of α -quartz. Moreover, the distribution of the neutral oxygen divacancy can also exert some influence on the properties of α -quartz. The dissimilarity and similarities are presented in the corresponding density of state (DOS) and absorption spectrum. In addition, when a higher defect concentration is involved in α -quartz, the influence of E₁' center on the geometry of α -quartz becomes more significant. However, the introduction of an E₁' center barely results in any improvement compared with the influence produced by the corresponding neutral defect.

关键词: α -quartz, neutral oxygen vacancy, E₁', center, concentration and distribution of defects

Abstract:

Key words: α -quartz, neutral oxygen vacancy, E₁' center, concentration and distribution of defects

中图分类号: (Defects and impurities in crystals; microstructure)

61.72.-y

42.70.Ce (Glasses, quartz) 71.90.+q (Other topics in electronic structure)

李会然, 程新路, 张红, 赵峰. Influences of neutral oxygen vacancies and E₁'centers on α-quartz[J]. 中国物理B, 2015, 24(10): 106105-106105.

Li Hui-Ran (李会然), Cheng Xin-Lu (程新路), Zhang Hong (张红), Zhao Feng (赵峰). Influences of neutral oxygen vacancies and E₁'centers on α-quartz[J]. Chin. Phys. B, 2015, 24(10): 106105-106105.

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Influences of neutral oxygen vacancies and E₁'centers on α-quartz

Influences of neutral oxygen vacancies and E₁'centers on α-quartz

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