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20122025
most citedLarge second harmonic generation of LiCs2PO4 caused by the metal-cation-centered groups

107 citations

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cond-mat.mtrl-sci2020★ 70 cited

Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor

Ji Qi, Baojuan Dong, Zhe Zhang +19

A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 23…

cond-mat.mtrl-sci2019★ 8 cited

Leveraging Legacy Data to Accelerate Materials Design via Preference Learning

Xiaolin Sun, Zhufeng Hou, Masato Sumita +3

Machine learning applications in materials science are often hampered by shortage of experimental data. Integration with legacy data from past experiments is a viable way to solve…

cond-mat.mtrl-sci2019★ 12 cited

Pressure-induced superconductivity in SnSb2Te4

Peng Song, Ryo Matsumoto, Zhufeng Hou +6

We report the discovery of a new superconductor from phase change materials SnSb2Te4. Single crystals of SnSb2Te4 were grown using a conventional melting-growth method. The sample…

cond-mat.mtrl-sci2018★ 107 cited

Large second harmonic generation of LiCs2PO4 caused by the metal-cation-centered groups

Xiyue Cheng, Myung-Hwan Whangbo, Guo-Cong Guo +2

We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs2PO4 (LCPO) by introducing the partial response functionals on the basis…

cond-mat.mtrl-sci2015★ 21 cited

New Quantum Spin Hall Insulator in Two-dimensional MoS with Periodically Distributed Pores

Peng-Fei Liu, Liujiang Zhou, Thomas Frauenheim +1

MoS, one of transition metal dichalcogenides (TMDs), has caused a lot of attentions for its excellent semiconductor characteristics and potential applications. Here, based on t…