Covariance Linkage Assimilation method for Unobserved Data Exploration
Authors:
Yosuke Harashima,
Takashi Miyake,
Ryuto Baba,
Tomoaki Takayama,
Shogo Takasuka,
Yasuteru Shigeta,
Yuichi Yamaguchi,
Akihiko Kudo,
Mikiya Fujii
Abstract:
This study proposes a materials search method combining a data assimilation technique based on a multivariate Gaussian distribution with Bayesian optimization. The efficiency of the search using this method was demonstrated using a pair of example functions. By combining Bayesian optimization with the data assimilation technique, the maximum value of the example function was found more efficiently…
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This study proposes a materials search method combining a data assimilation technique based on a multivariate Gaussian distribution with Bayesian optimization. The efficiency of the search using this method was demonstrated using a pair of example functions. By combining Bayesian optimization with the data assimilation technique, the maximum value of the example function was found more efficiently compared to ordinary Bayesian optimization without the data assimilation. A practical demonstration was also conducted by constructing a data assimilation model for the bandgap of (Sr$_{1-x_{1}-x_{2}}$La$_{x_{1}}$Na$_{x_{2}}$)(Ti$_{1-x_{1}-x_{2}}$Ga$_{x_{1}}$Ta$_{x_{2}}$)O$_{3}$. The concentration dependence of the bandgap was analyzed, and synthesis was performed with chemical compositions in the sparse region of the training data points to validate the predictions.
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Submitted 15 July, 2025; v1 submitted 16 August, 2024;
originally announced August 2024.
Yu-Shiba-Rusinov states in the charge-density modulated superconductor NbSe2
Authors:
Eva Liebhaber,
Sergio Acero Gonzalez,
Rojhat Baba,
Gael Reecht,
Benjamin W. Heinrich,
Sebastian Rohlf,
Kai Rossnagel,
Felix von Oppen,
Katharina J. Franke
Abstract:
NbSe$_2$ is a remarkable superconductor in which charge-density order coexists with pairing correlations at low temperatures. Here, we study the interplay of magnetic adatoms and their Yu-Shiba-Rusinov (YSR) bound states with the charge density order. Exploiting the incommensurate nature of the charge-density wave (CDW), our measurements provide a thorough picture of how the CDW affects both the e…
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NbSe$_2$ is a remarkable superconductor in which charge-density order coexists with pairing correlations at low temperatures. Here, we study the interplay of magnetic adatoms and their Yu-Shiba-Rusinov (YSR) bound states with the charge density order. Exploiting the incommensurate nature of the charge-density wave (CDW), our measurements provide a thorough picture of how the CDW affects both the energies and the wavefunctions of the YSR states. Key features of the dependence of the YSR states on adsorption site relative to the CDW are explained by model calculations. Several properties make NbSe$_2$ a promising substrate for realizing topological nanostructures. Our results will be important in designing such systems.
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Submitted 9 February, 2020; v1 submitted 22 March, 2019;
originally announced March 2019.