160 citations · 531 across the 15 of their papers we have counts for
8 papers · 1 filter
Three-dimensional atomic positions and local chemical order of medium- and high-entropy alloys
Saman Moniri, Yao Yang, Yakun Yuan +9
Medium- and high-entropy alloys (M/HEAs) mix multiple principal elements with near-equiatomic composition and represent a paradigm-shift strategy for designing new materials for me…
Thermodynamic and electron-transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory
Yi Wang, Yihuang Xiong, Tiannan Yang +6
This work demonstrates a first-principles-based approach to obtaining finite temperature thermal and electronic transport properties which can be employed to model and understand m…
Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface
Xuezeng Tian, Xingxu Yan, Georgios Varnavides +9
The 3D local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic and topological quantum properties,…
Direct observation of 3D atomic packing in monatomic amorphous materials
Yakun Yuan, Dennis S. Kim, Jihan Zhou +10
Liquids and solids are two fundamental states of matter. However, due to the lack of direct experimental determination, our understanding of the 3D atomic structure of liquids and…
Correlating 3D atomic defects and electronic properties of 2D materials with picometer precision
Xuezeng Tian, Dennis S. Kim, Shize Yang +10
The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a mo…
Linear and nonlinear optical probe of the ferroelectric-like phase transition in a polar metal, LiOsO3
Haricharan Padmanabhan, Yoonsang Park, Danilo Puggioni +7
LiOsO3 is one of the first materials identified in a recent literature as a 'polar metal', a class of materials that are simultaneously noncentrosymmetric and metallic. In this wor…
Artificial two-dimensional polar metal at room temperature
Yanwei Cao, Zhen Wang, Se Young Park +16
Polar metals, commonly defined by the coexistence of polar crystal structure and metallicity, are thought to be scarce because the long-range electrostatic fields favoring the pola…
Does the Dirac Cone Exist in Silicene on Metal Substrates?
Ruge Quhe, Yakun Yuan, Jiaxin Zheng +6
Absence of the Dirac cone due to a strong band hybridization is revealed to be a common feature for epitaxial silicene on metal substrates according to our first-principles calcula…