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Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2. / Atuchin, V. V.; Liang, Fei; Grazhdannikov, S. et al.

In: RSC Advances, Vol. 8, No. 18, 01.01.2018, p. 9946-9955.

Research output: Contribution to journalArticlepeer-review

Harvard

Atuchin, VV, Liang, F, Grazhdannikov, S, Isaenko, LI, Krinitsin, PG, Molokeev, MS, Prosvirin, IP, Jiang, X & Lin, Z 2018, 'Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2', RSC Advances, vol. 8, no. 18, pp. 9946-9955. https://doi.org/10.1039/c8ra01079j

APA

Atuchin, V. V., Liang, F., Grazhdannikov, S., Isaenko, L. I., Krinitsin, P. G., Molokeev, M. S., Prosvirin, I. P., Jiang, X., & Lin, Z. (2018). Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2. RSC Advances, 8(18), 9946-9955. https://doi.org/10.1039/c8ra01079j

Vancouver

Atuchin VV, Liang F, Grazhdannikov S, Isaenko LI, Krinitsin PG, Molokeev MS et al. Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2. RSC Advances. 2018 Jan 1;8(18):9946-9955. doi: 10.1039/c8ra01079j

Author

Atuchin, V. V. ; Liang, Fei ; Grazhdannikov, S. et al. / Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2. In: RSC Advances. 2018 ; Vol. 8, No. 18. pp. 9946-9955.

BibTeX

@article{7cf852eca9da4459bf66a4cd4c3eaf67,
title = "Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2",
abstract = "The LiGaTe2 crystals up to 5 mm in size were grown by the modified Bridgman-Stockbarger technique and the cell parameter dependence on temperature in the range of 303-563 K was evaluated by the X-ray diffraction analysis. The thermal behavior of LiGaTe2 is evidently anisotropic and a negative thermal expansion is found along crystallographic direction c with coefficient -8.6 × 10-6. However, the normal thermal expansion in two a directions with coefficient 19.1 × 10-6 is dominant providing unit cell volume increase on heating. The atomic mechanism is proposed to describe this pronounced anisotropic expansion effect. The electronic structure of LiGaTe2 is measured by X-ray photoelectron spectroscopy and the band structure is obtained by DFT calculations. The pressure response from 0 to 5 GPa was calculated and a normal crystal compression is found. This work indicates that LiGaTe2 is promising as an IR NLO or window material for many practical applications because the thermal expansion coefficients of this telluride are not big. We believe that these results would be beneficial for the discovery and exploration of new IR optoelectronic polyfunctional metal tellurides.",
keywords = "MID-IR, OPTICAL-PROPERTIES, CRYSTAL-GROWTH, VIBRATIONAL PROPERTIES, PHYSICAL-PROPERTIES, NONLINEAR CRYSTAL, SINGLE-CRYSTALS, METAL SULFIDES, FAR-IR, MU-M",
author = "Atuchin, {V. V.} and Fei Liang and S. Grazhdannikov and Isaenko, {L. I.} and Krinitsin, {P. G.} and Molokeev, {M. S.} and Prosvirin, {I. P.} and Xingxing Jiang and Zheshuai Lin",
year = "2018",
month = jan,
day = "1",
doi = "10.1039/c8ra01079j",
language = "English",
volume = "8",
pages = "9946--9955",
journal = "RSC Advances",
issn = "2046-2069",
publisher = "ROYAL SOC CHEMISTRY",
number = "18",

}

RIS

TY - JOUR

T1 - Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe2

AU - Atuchin, V. V.

AU - Liang, Fei

AU - Grazhdannikov, S.

AU - Isaenko, L. I.

AU - Krinitsin, P. G.

AU - Molokeev, M. S.

AU - Prosvirin, I. P.

AU - Jiang, Xingxing

AU - Lin, Zheshuai

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The LiGaTe2 crystals up to 5 mm in size were grown by the modified Bridgman-Stockbarger technique and the cell parameter dependence on temperature in the range of 303-563 K was evaluated by the X-ray diffraction analysis. The thermal behavior of LiGaTe2 is evidently anisotropic and a negative thermal expansion is found along crystallographic direction c with coefficient -8.6 × 10-6. However, the normal thermal expansion in two a directions with coefficient 19.1 × 10-6 is dominant providing unit cell volume increase on heating. The atomic mechanism is proposed to describe this pronounced anisotropic expansion effect. The electronic structure of LiGaTe2 is measured by X-ray photoelectron spectroscopy and the band structure is obtained by DFT calculations. The pressure response from 0 to 5 GPa was calculated and a normal crystal compression is found. This work indicates that LiGaTe2 is promising as an IR NLO or window material for many practical applications because the thermal expansion coefficients of this telluride are not big. We believe that these results would be beneficial for the discovery and exploration of new IR optoelectronic polyfunctional metal tellurides.

AB - The LiGaTe2 crystals up to 5 mm in size were grown by the modified Bridgman-Stockbarger technique and the cell parameter dependence on temperature in the range of 303-563 K was evaluated by the X-ray diffraction analysis. The thermal behavior of LiGaTe2 is evidently anisotropic and a negative thermal expansion is found along crystallographic direction c with coefficient -8.6 × 10-6. However, the normal thermal expansion in two a directions with coefficient 19.1 × 10-6 is dominant providing unit cell volume increase on heating. The atomic mechanism is proposed to describe this pronounced anisotropic expansion effect. The electronic structure of LiGaTe2 is measured by X-ray photoelectron spectroscopy and the band structure is obtained by DFT calculations. The pressure response from 0 to 5 GPa was calculated and a normal crystal compression is found. This work indicates that LiGaTe2 is promising as an IR NLO or window material for many practical applications because the thermal expansion coefficients of this telluride are not big. We believe that these results would be beneficial for the discovery and exploration of new IR optoelectronic polyfunctional metal tellurides.

KW - MID-IR

KW - OPTICAL-PROPERTIES

KW - CRYSTAL-GROWTH

KW - VIBRATIONAL PROPERTIES

KW - PHYSICAL-PROPERTIES

KW - NONLINEAR CRYSTAL

KW - SINGLE-CRYSTALS

KW - METAL SULFIDES

KW - FAR-IR

KW - MU-M

UR - http://www.scopus.com/inward/record.url?scp=85044047834&partnerID=8YFLogxK

U2 - 10.1039/c8ra01079j

DO - 10.1039/c8ra01079j

M3 - Article

C2 - 35540803

AN - SCOPUS:85044047834

VL - 8

SP - 9946

EP - 9955

JO - RSC Advances

JF - RSC Advances

SN - 2046-2069

IS - 18

ER -

ID: 12155466