Intermediate band studies of substitutional V2+, Cr2+, and Mn2+ defects in ZnTe alloys

Jen Chuan Tung; Bang Wun Lin; Po Liang Liu

doi:10.3390/app10248937

Intermediate band studies of substitutional V²⁺, Cr²⁺, and Mn²⁺ defects in ZnTe alloys

Jen Chuan Tung
, Bang Wun Lin
, Po Liang Liu^*

^*Corresponding author for this work

China Medical University Taichung
National Chung Hsing University

Research output: Contribution to journal › Journal Article › peer-review

3 Scopus citations

Abstract

We present first-principles total-energy density functional calculations to study the intermediate band states of substitutional V²⁺, Cr²⁺, and Mn²⁺ ions in ZnTe alloys. The intermediate band states of substitutional transition metal defects of TM²⁺xZn_1−xTe (TM = V, Cr, Mn) alloys are examined as their atomic, structural, and electronic analysis. Our findings show that the scissor-corrected transitions due to Jahn-Teller effects lead to the wavelengths 2530 nm and 2695 nm in the emission spectra. Our findings agree with previously reported experimental results.

Original language	English
Article number	8937
Pages (from-to)	1-11
Number of pages	11
Journal	Applied Sciences (Switzerland)
Volume	10
Issue number	24
DOIs	https://doi.org/10.3390/app10248937
State	Published - 02 12 2020
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2020 by the authors. Licensee MDPI, Basel, Switzerland.

Keywords

First-principles calculations
Infrared
Transition metal
ZnTe

Access to Document

10.3390/app10248937

Cite this

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title = "Intermediate band studies of substitutional V2+, Cr2+, and Mn2+ defects in ZnTe alloys",

abstract = "We present first-principles total-energy density functional calculations to study the intermediate band states of substitutional V2+, Cr2+, and Mn2+ ions in ZnTe alloys. The intermediate band states of substitutional transition metal defects of TM2+xZn1−xTe (TM = V, Cr, Mn) alloys are examined as their atomic, structural, and electronic analysis. Our findings show that the scissor-corrected transitions due to Jahn-Teller effects lead to the wavelengths 2530 nm and 2695 nm in the emission spectra. Our findings agree with previously reported experimental results.",

keywords = "First-principles calculations, Infrared, Transition metal, ZnTe",

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year = "2020",

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T1 - Intermediate band studies of substitutional V2+, Cr2+, and Mn2+ defects in ZnTe alloys

AU - Tung, Jen Chuan

AU - Lin, Bang Wun

AU - Liu, Po Liang

PY - 2020/12/2

Y1 - 2020/12/2

N2 - We present first-principles total-energy density functional calculations to study the intermediate band states of substitutional V2+, Cr2+, and Mn2+ ions in ZnTe alloys. The intermediate band states of substitutional transition metal defects of TM2+xZn1−xTe (TM = V, Cr, Mn) alloys are examined as their atomic, structural, and electronic analysis. Our findings show that the scissor-corrected transitions due to Jahn-Teller effects lead to the wavelengths 2530 nm and 2695 nm in the emission spectra. Our findings agree with previously reported experimental results.

AB - We present first-principles total-energy density functional calculations to study the intermediate band states of substitutional V2+, Cr2+, and Mn2+ ions in ZnTe alloys. The intermediate band states of substitutional transition metal defects of TM2+xZn1−xTe (TM = V, Cr, Mn) alloys are examined as their atomic, structural, and electronic analysis. Our findings show that the scissor-corrected transitions due to Jahn-Teller effects lead to the wavelengths 2530 nm and 2695 nm in the emission spectra. Our findings agree with previously reported experimental results.

KW - First-principles calculations

KW - Infrared

KW - Transition metal

KW - ZnTe

UR - https://www.scopus.com/pages/publications/85097963978

U2 - 10.3390/app10248937

DO - 10.3390/app10248937

M3 - 文章

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SN - 2076-3417

VL - 10

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EP - 11

JO - Applied Sciences (Switzerland)

JF - Applied Sciences (Switzerland)

IS - 24

M1 - 8937

ER -