Entropy-assisted, long-period stacking of honeycomb layers in an AlB2-type silicide

Fuente: arXiv
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Autores principales: Spitz, Leonie, Nomoto, Takuya, Kitou, Shunsuke, Nakao, Hironori, Kikkawa, Akiko, Francoual, Sonia, Taguchi, Yasujiro, Arita, Ryotaro, Tokura, Yoshinori, Arima, Taka-hisa, Hirschberger, Max
Formato: Preprint
Publicado: 2025
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author Spitz, Leonie
Nomoto, Takuya
Kitou, Shunsuke
Nakao, Hironori
Kikkawa, Akiko
Francoual, Sonia
Taguchi, Yasujiro
Arita, Ryotaro
Tokura, Yoshinori
Arima, Taka-hisa
Hirschberger, Max
author_facet Spitz, Leonie
Nomoto, Takuya
Kitou, Shunsuke
Nakao, Hironori
Kikkawa, Akiko
Francoual, Sonia
Taguchi, Yasujiro
Arita, Ryotaro
Tokura, Yoshinori
Arima, Taka-hisa
Hirschberger, Max
contents Configurational entropy can impact crystallization processes, tipping the scales between structures of nearly equal internal energy. Using alloyed single crystals of Gd2PdSi3 in the AlB2-type structure, we explore the formation of complex layer sequences made from alternating, two-dimensional triangular and honeycomb slabs. A four-period and an eight-period stacking sequence are found to be very close in internal energy, the latter being favored by entropy associated with covering the full configuration space of interlayer bonds. Possible consequences of polytype formation on magnetism in Gd2PdSi3 are discussed.
format Preprint
id arxiv_https___arxiv_org_abs_2503_18655
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Entropy-assisted, long-period stacking of honeycomb layers in an AlB2-type silicide
Spitz, Leonie
Nomoto, Takuya
Kitou, Shunsuke
Nakao, Hironori
Kikkawa, Akiko
Francoual, Sonia
Taguchi, Yasujiro
Arita, Ryotaro
Tokura, Yoshinori
Arima, Taka-hisa
Hirschberger, Max
Materials Science
Statistical Mechanics
Strongly Correlated Electrons
Configurational entropy can impact crystallization processes, tipping the scales between structures of nearly equal internal energy. Using alloyed single crystals of Gd2PdSi3 in the AlB2-type structure, we explore the formation of complex layer sequences made from alternating, two-dimensional triangular and honeycomb slabs. A four-period and an eight-period stacking sequence are found to be very close in internal energy, the latter being favored by entropy associated with covering the full configuration space of interlayer bonds. Possible consequences of polytype formation on magnetism in Gd2PdSi3 are discussed.
title Entropy-assisted, long-period stacking of honeycomb layers in an AlB2-type silicide
topic Materials Science
Statistical Mechanics
Strongly Correlated Electrons
url https://arxiv.org/abs/2503.18655