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20062026
most citedMachine Learning Guided Discovery of Gigantic Magnetocaloric Effect in HoB Near Hydrogen Liquefaction Temperature

163 citations

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cond-mat.mtrl-sci2026★ 9 cited

Mixed Organic Cation in Chiral Two-Dimensional Organic-Inorganic Hybrid Metal Halides: An ab-initio Study of Nonlinear Optical (NLO) Properties

Xiyue Cheng, S. Muthukrishnan, Hanxiang Mi +4

The mixing of organic cations represents yet another direction to explore in the field of chiral organic-inorganic hybrid metal halides (OIHMH). Here, we perform structural optimiz…

cond-mat.mtrl-sci2025

Glass-like anomalies and unconventional thermoelectric transport in chimney ladder crystals

Srinivas V. Mandyam, Weicen Dong, Xiaoxian Yan +13

Nowotny chimney ladder (NCL) crystals present physical properties in between the contrasting paradigms of ideal crystal and amorphous solid, making them promising candidates for th…

cond-mat.mtrl-sci2025★ 10 cited

Stabilizing Single-Atom Catalysts on Metastable Phases of Transition Metal Dichalcogenides

Lina Wang, Zhenhai Wen, Guangfu Luo

Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems…

cond-mat.mtrl-sci2024★ 2 cited

Macroscopic electro-optical modulation of solution-processed molybdenum disulfide

Songwei Liu, Yingyi Wen, Jingfang Pei +10

Molybdenum disulfide (MoS2) has drawn great interest for tunable photonics and optoelectronics advancement. Its solution processing, though scalable, results in randomly networked…

cond-mat.mtrl-sci2020★ 13 cited

Synthesis and Characterization of Sodium Iron Antimonate Na2FeSbO5 One-Dimensional Antiferromagnetic Chain Compound with a Spin Glass Ground State

Uma Sitharaman, Vasilchikova Tatyana, Sobolev Alexey +9

A new oxide, sodium iron antimonate, Na2FeSbO5, was synthesized and structurally characterized, and its static and dynamic magnetic properties were comprehensively studied both exp…

cond-mat.mtrl-sci2020★ 7 cited

Peculiarities of magnetic ordering in the S = 5/2 two-dimensional square-lattice antimonate NaMnSbO4

Tatyana Vasilchikova, Vladimir Nalbandyan, Igor Shukaev +9

An orthorhombic compound, NaMnSbO4, represents a square net of magnetic Mn2+ ions residing in vertex-shared oxygen octahedra. Its static and dynamic magnetic properties were studie…

cond-mat.mtrl-sci2020★ 15 cited

Hidden Magnetic Order in Triangular-Lattice Magnet Li2MnTeO6

E. A. Zvereva, G. V. Raganyan, T. M. Vasilchikova +10

The manganese tellurate Li2MnTeO6 consists of trigonal spin lattices made up of Mn4+ (d3, S = 3/2) ions. The magnetic properties of this compound were characterized by several expe…

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-sci2020★ 163 cited

Machine Learning Guided Discovery of Gigantic Magnetocaloric Effect in HoB Near Hydrogen Liquefaction Temperature

Pedro Baptista de Castro, Kensei Terashima, Takafumi D Yamamoto +8

Magnetic refrigeration exploits the magnetocaloric effect which is the entropy change upon application and removal of magnetic fields in materials, providing an alternate path for…

cond-mat.mtrl-sci2020★ 4 cited

Absence of long-range order in an pyrochlore antiferromagnet ErAlSbO

H. L. Che, Z. Y. Zhao, X. Rao +14

Rare-earth pyrochlores are known to exhibit exotic magnetic phenomena. We report a study of crystal growth and characterizations of a new rare-earth compound ErAlSbO, in wh…

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-sci2019★ 6 cited

Magnetism study on a frustration-free spatially anisotropic = 1 square lattice antiferromagnet Ni[SC(NH)]Br

X. Zhao, Z. Y. Zhao, L. M. Chen +7

Magnetism of the = 1 Heisenberg antiferromagnets on the spatially anisotropic square lattice has been scarcely explored. Here we report a study of the magnetism, specific heat,…

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-sci2017★ 19 cited

Magnetization, specific heat, and thermal conductivity of hexagonal ErMnO single crystals

J. D. Song. C. Fan, Z. Y. Zhao, F. B. Zhang +6

We report a study of magnetism and magnetic transitions of hexagonal ErMnO single crystals by magnetization, specific heat and heat transport measurements. Magnetization data s…

cond-mat.mtrl-sci2017★ 11 cited

Ferroelectricity of structural origin in spin-chain compounds CaCoMnO

J. Shi, J. D. Song, J. C. Wu +10

We report a systematic study of the structure, electric and magnetic properties of CaCoMnO single crystals with 0.72 and 0.26. The DC and AC magnetic susc…

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…

cond-mat.mtrl-sci2010★ 77 cited

High-pressure structural phase transitions in CuWO4

J. Ruiz-Fuertes, D. Errandonea, R. Lacomba-Perales +9

We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments u…

cond-mat.mtrl-sci2008★ 101 cited

Combined Raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator ZnWO4

D. Errandonea, F. J. Manjon, N. Garro +5

Room-temperature Raman scattering was measured in ZnWO4 up to 45 GPa. We report the pressure dependence of all the Raman-active phonons of the low-pressure wolframite phase. As pre…

cond-mat.mtrl-sci2007★ 108 cited

High-pressure x-ray diffraction study of SrMoO4 and pressure-induced structural changes

Daniel Errandonea, Ravhi S. Kumar, Xinghua Ma +1

SrMoO4 was studied under compression up to 25 GPa by angle-dispersive x-ray diffraction. A phase transition was observed from the scheelite-structured ambient phase to a monoclinic…