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19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2011Show all

12 papers · 1 filter

cond-mat.mtrl-sci2011★ 64 cited

Theoretical Study of Corundum as an Ideal Gate Dielectric Material for Graphene Transistors

Bing Huang, Qiang Xu, Su-Huai Wei

Using physical insights and advanced first-principles calculations, we suggest that corundum is an ideal gate dielectric material for graphene transistors. Clean interface exists b…

cond-mat.mtrl-sci2011★ 284 cited

Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method

Xinyu Luo, Jihui Yang, Hanyu Liu +6

We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we pred…

cond-mat.soft2011

Optical Microscopy of Soft Matter Systems

Taewoo Lee, Bohdan Senyuk, Rahul P. Trivedi +1

The fast-growing field of soft matter research requires increasingly sophisticated tools for experimental studies. One of the oldest and most widely used tools to study soft matter…

cond-mat.mes-hall2011★ 80 cited

Strain Control of Magnetism in Transition-Metal-Atom Decorated Graphene

Bing Huang, Jaejun Yu, Su-Huai Wei

We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change…

cond-mat.mes-hall2011★ 28 cited

Controlling doping in graphene through a SiC substrate: A first-principles study

Bing Huang, Hongjun Xiang, Su-Huai Wei

Controlling the type and density of charge carriers by doping is the key step for developing graphene electronics. However, direct doping of graphene is rather a challenge. Based o…

physics.optics2011★ 985 cited

Intense Internal and External Fluorescence as Solar Cells Approach the Shockley-Queisser Efficiency Limit

Owen D. Miller, Eli Yablonovitch, Sarah R. Kurtz

Absorbed sunlight in a solar cell produces electrons and holes. But, at the open circuit condition, the carriers have no place to go. They build up in density and, ideally, they em…

cond-mat.str-el2011★ 417 cited

Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles

H. J. Xiang, E. J. Kan, Su-Huai Wei +2

A novel general method of describing the spin-lattice interactions in magnetic solids was proposed in terms of first principles calculations. The spin exchange and Dzyaloshinskii-M…

cond-mat.mtrl-sci2011★ 79 cited

Ordered Semiconducting Nitrogen-Graphene Alloys

Hongjun Xiang, Bing Huang, Zhenyu Li +3

The interaction between substitutional nitrogen atoms in graphene is studied by performing first principles calculations. The nearest neighbor interaction between nitrogen dopants…

cond-mat.mtrl-sci2011★ 65 cited

Band Structure Engineering of Multinary Chalcogenide Topological Insulators

Shiyou Chen, X. G. Gong, Chun-Gang Duan +6

Topological insulators (TIs) have been found in strained binary HgTe and ternary I-III-VI2 chalcopyrite compounds such as CuTlSe2 which have inverted band structures. However, the…

astro-ph.GA2011★ 48 cited

The Dense Molecular Gas in the Circumnuclear Disk of NGC 1068

J. Kamenetzky, J. Glenn, P. R. Maloney +10

We present a 190-307 GHz broadband spectrum obtained with Z-Spec of NGC 1068 with new measurements of molecular rotational transitions. After combining our measurements with those…

cond-mat.mtrl-sci2011★ 79 cited

Multi-component Transparent Conducting Oxides: Progress in Materials Modelling

Aron Walsh, Juarez L. F. Da Silva, Su-Huai Wei

Transparent conducting oxides (TCOs) play an essential role in modern optoelectronic devices through their combination of electrical conductivity and optical transparency. We revie…

cond-mat.mtrl-sci2011★ 109 cited

False-positive and False-negative assignments of Topological Insulators in Density-Functional Theory and Hybrids

Julien Vidal, Xiuwen Zhang, Liping Yu +2

Density-functional Theory (DFT) approaches have recently been used to judge the topological order of various materials despite its well-known band gap underestimation. Use of the m…