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Anisotropic Thermal Expansion and Electronic Structure of LiInSe2. / Atuchin, Victor V.; Isaenko, Ludmila I.; Lobanov, Sergei I. et al.

In: Molecules (Basel, Switzerland), Vol. 27, No. 16, 5078, 10.08.2022.

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

Harvard

Atuchin, VV, Isaenko, LI, Lobanov, SI, Goloshumova, AA, Molokeev, MS, Zhang, Z, Zhang, X, Jiang, X & Lin, Z 2022, 'Anisotropic Thermal Expansion and Electronic Structure of LiInSe2', Molecules (Basel, Switzerland), vol. 27, no. 16, 5078. https://doi.org/10.3390/molecules27165078

APA

Atuchin, V. V., Isaenko, L. I., Lobanov, S. I., Goloshumova, A. A., Molokeev, M. S., Zhang, Z., Zhang, X., Jiang, X., & Lin, Z. (2022). Anisotropic Thermal Expansion and Electronic Structure of LiInSe2. Molecules (Basel, Switzerland), 27(16), [5078]. https://doi.org/10.3390/molecules27165078

Vancouver

Atuchin VV, Isaenko LI, Lobanov SI, Goloshumova AA, Molokeev MS, Zhang Z et al. Anisotropic Thermal Expansion and Electronic Structure of LiInSe2. Molecules (Basel, Switzerland). 2022 Aug 10;27(16):5078. doi: 10.3390/molecules27165078

Author

Atuchin, Victor V. ; Isaenko, Ludmila I. ; Lobanov, Sergei I. et al. / Anisotropic Thermal Expansion and Electronic Structure of LiInSe2. In: Molecules (Basel, Switzerland). 2022 ; Vol. 27, No. 16.

BibTeX

@article{cd6c953105d540e5bd3881e842ed0cdc,
title = "Anisotropic Thermal Expansion and Electronic Structure of LiInSe2",
abstract = "Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK-1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.",
keywords = "band structure, crystal growth, DFT, LiInSe2, thermal expansion, XPS, LiInSe",
author = "Atuchin, {Victor V.} and Isaenko, {Ludmila I.} and Lobanov, {Sergei I.} and Goloshumova, {Alina A.} and Molokeev, {Maxim S.} and Zhaoming Zhang and Xingyu Zhang and Xingxing Jiang and Zheshuai Lin",
note = "Publisher Copyright: {\textcopyright} 2022 by the authors.",
year = "2022",
month = aug,
day = "10",
doi = "10.3390/molecules27165078",
language = "English",
volume = "27",
journal = "Molecules",
issn = "1420-3049",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "16",

}

RIS

TY - JOUR

T1 - Anisotropic Thermal Expansion and Electronic Structure of LiInSe2

AU - Atuchin, Victor V.

AU - Isaenko, Ludmila I.

AU - Lobanov, Sergei I.

AU - Goloshumova, Alina A.

AU - Molokeev, Maxim S.

AU - Zhang, Zhaoming

AU - Zhang, Xingyu

AU - Jiang, Xingxing

AU - Lin, Zheshuai

N1 - Publisher Copyright: © 2022 by the authors.

PY - 2022/8/10

Y1 - 2022/8/10

N2 - Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK-1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.

AB - Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK-1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.

KW - band structure

KW - crystal growth

KW - DFT

KW - LiInSe2

KW - thermal expansion

KW - XPS

KW - LiInSe

UR - http://www.scopus.com/inward/record.url?scp=85136710451&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/37e50d42-9b3c-36a6-b42f-be0fd5055f6e/

U2 - 10.3390/molecules27165078

DO - 10.3390/molecules27165078

M3 - Article

C2 - 36014319

AN - SCOPUS:85136710451

VL - 27

JO - Molecules

JF - Molecules

SN - 1420-3049

IS - 16

M1 - 5078

ER -

ID: 37037530