The search for a band of a defect predicted above 4000 cm−1 in diamond through infrared vibrational spectra: a quantum mechanical investigation

Author:

Zhang Yanyan1ORCID,Zhang Libin2,Zhang Dongliang1,Li Yichen1,Liu Sheng13,Yang Bo45ORCID,Gan Zhiyin16

Affiliation:

1. School of Mechanical Science & Engineering, Huazhong University of Science & Technology, Wuhan, 430074, P. R. China

2. School of Mechanical Engineering & Automation, Wuhan Textile University, Wuhan, 430074, P. R. China

3. School of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, P. R. China

4. CAS Key Laboratory of Microscale Magnetic Resonance and School of Physical Sciences, University of Science and Technology of China, Hefei 230026, China

5. CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, P. R. China

6. TrueOne Semiconductor Technology Company Ltd, Guangdong 528251, P. R. China

Abstract

The proposed N–H bond model under repulsion stretching generates a vibrational frequency > 4000 cm−1, providing a valuable method for investigating high wavenumber defects in diamond.

Funder

National Natural Science Foundation of China

Hubei Provincial Department of Education

Basic and Applied Basic Research Foundation of Guangdong Province

Science and Technology Foundation of Shenzhen City

Natural Science Foundation of Hubei Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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