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Comprehensive study of the interstitial hydrogen donor in SnO2. / Herklotz, F; Lavrov, E; Мельников, В; Galazka, Z; Агекян, Вадим Фадеевич.

In: Physical Review B-Condensed Matter, Vol. 108, No. 20, 205204, 28.11.2023.

Research output: Contribution to journalArticlepeer-review

Harvard

Herklotz, F, Lavrov, E, Мельников, В, Galazka, Z & Агекян, ВФ 2023, 'Comprehensive study of the interstitial hydrogen donor in SnO2', Physical Review B-Condensed Matter, vol. 108, no. 20, 205204. https://doi.org/10.1103/physrevb.108.205204

APA

Herklotz, F., Lavrov, E., Мельников, В., Galazka, Z., & Агекян, В. Ф. (2023). Comprehensive study of the interstitial hydrogen donor in SnO2. Physical Review B-Condensed Matter, 108(20), [205204]. https://doi.org/10.1103/physrevb.108.205204

Vancouver

Herklotz F, Lavrov E, Мельников В, Galazka Z, Агекян ВФ. Comprehensive study of the interstitial hydrogen donor in SnO2. Physical Review B-Condensed Matter. 2023 Nov 28;108(20). 205204. https://doi.org/10.1103/physrevb.108.205204

Author

Herklotz, F ; Lavrov, E ; Мельников, В ; Galazka, Z ; Агекян, Вадим Фадеевич. / Comprehensive study of the interstitial hydrogen donor in SnO2. In: Physical Review B-Condensed Matter. 2023 ; Vol. 108, No. 20.

BibTeX

@article{951dd656f4cf4dbca1f78a55e221b22f,
title = "Comprehensive study of the interstitial hydrogen donor in SnO2",
abstract = "The nature of interstitial hydrogen in SnO2 has been inferred by a combined study of first-principles theory and infrared absorption, near band edge absorption, and photoluminescence spectroscopy. The earlier interpretationof a center with an O–H stretch mode at 3156 cm−1 as interstitial hydrogen is confirmed. Uniaxial stress experiments on the 3156 cm−1 mode reveal that the interstitial hydrogen atom is located in the open c channel of the rutile SnO2 structure. Migration along the c axis of the crystals occurs via low barrier hydrogen jumps of around 0.57 eV to symmetrically equivalent nearest-neighbor positions. Combinational vibrations of the O–H stretch mode with the out-of-ab-plane and in-ab-plane wag modes at about 4014 and 4332 cm−1 have beenidentified. Free carrier absorption and excitonic properties of the defect demonstrate that Hi forms an effective shallow-donor-like state similar to the well-characterized F, Cl, and Sb n-type dopants in this material.",
author = "F Herklotz and E Lavrov and В Мельников and Z Galazka and Агекян, {Вадим Фадеевич}",
year = "2023",
month = nov,
day = "28",
doi = "10.1103/physrevb.108.205204",
language = "English",
volume = "108",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "20",

}

RIS

TY - JOUR

T1 - Comprehensive study of the interstitial hydrogen donor in SnO2

AU - Herklotz, F

AU - Lavrov, E

AU - Мельников, В

AU - Galazka, Z

AU - Агекян, Вадим Фадеевич

PY - 2023/11/28

Y1 - 2023/11/28

N2 - The nature of interstitial hydrogen in SnO2 has been inferred by a combined study of first-principles theory and infrared absorption, near band edge absorption, and photoluminescence spectroscopy. The earlier interpretationof a center with an O–H stretch mode at 3156 cm−1 as interstitial hydrogen is confirmed. Uniaxial stress experiments on the 3156 cm−1 mode reveal that the interstitial hydrogen atom is located in the open c channel of the rutile SnO2 structure. Migration along the c axis of the crystals occurs via low barrier hydrogen jumps of around 0.57 eV to symmetrically equivalent nearest-neighbor positions. Combinational vibrations of the O–H stretch mode with the out-of-ab-plane and in-ab-plane wag modes at about 4014 and 4332 cm−1 have beenidentified. Free carrier absorption and excitonic properties of the defect demonstrate that Hi forms an effective shallow-donor-like state similar to the well-characterized F, Cl, and Sb n-type dopants in this material.

AB - The nature of interstitial hydrogen in SnO2 has been inferred by a combined study of first-principles theory and infrared absorption, near band edge absorption, and photoluminescence spectroscopy. The earlier interpretationof a center with an O–H stretch mode at 3156 cm−1 as interstitial hydrogen is confirmed. Uniaxial stress experiments on the 3156 cm−1 mode reveal that the interstitial hydrogen atom is located in the open c channel of the rutile SnO2 structure. Migration along the c axis of the crystals occurs via low barrier hydrogen jumps of around 0.57 eV to symmetrically equivalent nearest-neighbor positions. Combinational vibrations of the O–H stretch mode with the out-of-ab-plane and in-ab-plane wag modes at about 4014 and 4332 cm−1 have beenidentified. Free carrier absorption and excitonic properties of the defect demonstrate that Hi forms an effective shallow-donor-like state similar to the well-characterized F, Cl, and Sb n-type dopants in this material.

UR - https://www.mendeley.com/catalogue/4044cf96-ec2d-35cd-b417-d451de7231d9/

U2 - 10.1103/physrevb.108.205204

DO - 10.1103/physrevb.108.205204

M3 - Article

VL - 108

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 20

M1 - 205204

ER -

ID: 114496928