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Magnetic characterization of Sm(Fe1-x, Cox)11Ti (x = 0, 0.1) determined by heat-capacity measurement from very low to high temperatures
The thermodynamic and magnetic properties of SmFe11Ti and Sm(Fe0.9Co0.1)11Ti, which are candidates for the main constituents of …
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Charge transport and thermopower in the electron-doped narrow gap semiconductor Ca$_{1-x}$La$_x$Pd$_3$O$_4$
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非調和フォノン理論に基づいた有限温度における結晶構造の第一原理計算
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First-principles prediction of phase transition of YCo$_5$ from self-consistent phonon calculations
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Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites
The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the …
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Alleviating Defect and Oxidation in Tin Perovskite Solar Cells Using a Bidentate Ligand
Tin-perovskite solar cells (Sn-PSCs) have low energy conversion efficiency and stability due to facile oxidation of Sn2+ during …
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Impact of quartic anharmonicity on lattice thermal transport in EuTiO$_3$: A comparative theoretical and experimental investigation
We investigate the role of the quartic anharmonicity in the lattice dynamics and thermal transport of the cubic EuTiO3 by combining ab …
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Implementation strategies in phonopy and phono3py
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software …
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Full optimization of quasiharmonic free energy with an anharmonic lattice model: Application to thermal expansion and pyroelectricity of wurtzite GaN and ZnO
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Hydride anion substitution boosts thermoelectric performance of polycrystalline SrTiO $_3$ via simultaneous realization of reduced thermal conductivity and high electronic conductivity
Abstract The development of environmentally benign thermoelectric materials with high energy conversion efficiency (ZT) continues to be …
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