том 111 издание 6 страницы 343-349

Phase Transitions in Tungsten Monoborides

Тип публикацииJournal Article
Дата публикации2020-03-01
scimago Q3
wos Q3
БС1
SJR0.312
CiteScore2.3
Impact factor1.3
ISSN00213640, 10906487
Physics and Astronomy (miscellaneous)
Краткое описание
Three tungsten monoboride phases, including the I 4 1 / amd -WB and Cmcm -WB phases and the recently predicted stable low-temperature $$P\overline 4 {2_1}m$$ P 4 ¯ 2 1 m -WB phase, have been studied in detail. The crystal structure of stable and metastable tungsten monoborides has been revealed using the USPEX evolutionary algorithm to predict crystal structures with up to 36 atoms in the considered unit cell. Possible phase transitions between predicted WB phases have been thoroughly studied by calculating the pressure—temperature phase diagram indicating the thermodynamic stability ranges. Paths for structural phase transitions have been analyzed using the variable-cell nudged-elastic-band (VCNEB) method. This method allows studying structural changes during phase transitions between monoborides.
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Chemistry of Materials
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Kvashnin A. G., Samtsevich A. I. Phase Transitions in Tungsten Monoborides // JETP Letters. 2020. Vol. 111. No. 6. pp. 343-349.
ГОСТ со всеми авторами (до 50) Скопировать
Kvashnin A. G., Samtsevich A. I. Phase Transitions in Tungsten Monoborides // JETP Letters. 2020. Vol. 111. No. 6. pp. 343-349.
RIS |
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TY - JOUR
DO - 10.1134/S0021364020060041
UR - https://doi.org/10.1134/S0021364020060041
TI - Phase Transitions in Tungsten Monoborides
T2 - JETP Letters
AU - Kvashnin, A G
AU - Samtsevich, A. I.
PY - 2020
DA - 2020/03/01
PB - Pleiades Publishing
SP - 343-349
IS - 6
VL - 111
SN - 0021-3640
SN - 1090-6487
ER -
BibTex |
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@article{2020_Kvashnin,
author = {A G Kvashnin and A. I. Samtsevich},
title = {Phase Transitions in Tungsten Monoborides},
journal = {JETP Letters},
year = {2020},
volume = {111},
publisher = {Pleiades Publishing},
month = {mar},
url = {https://doi.org/10.1134/S0021364020060041},
number = {6},
pages = {343--349},
doi = {10.1134/S0021364020060041}
}
MLA
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Kvashnin, A. G., et al. “Phase Transitions in Tungsten Monoborides.” JETP Letters, vol. 111, no. 6, Mar. 2020, pp. 343-349. https://doi.org/10.1134/S0021364020060041.