output
19922026
Showing 2013 · cond-mat.mtrl-sciShow all

18 papers · 2 filters

cond-mat.mtrl-sci2013

Exponent equality for capture-zone scaling in island nucleation: Theory and application to organic films

Alberto Pimpinelli, Levent Tumbek, Adolf Winkler

It is known in thin-film deposition that the density of nucleated clusters varies with the deposition rate as a power law, . The exponent is a function of t…

cond-mat.mtrl-sci2013★ 362 cited

Feasibility of Lithium Storage on Graphene and Its Derivatives

Yuanyue Liu, Vasilii I. Artyukhov, Mingjie Liu +2

Nanomaterials are anticipated to be promising storage media, owing to their high surface-to-mass ratio. The high hydrogen capacity achieved by using graphene has reinforced this op…

cond-mat.mtrl-sci2013★ 5 cited

The role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO3

Fedwa El-Mellouhi, Edward N. Brothers, Melissa J. Lucero +1

The properties of many intrinsic defects in the wide band gap semiconductor LaAlO3 are studied using the screened hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). As in pr…

cond-mat.mtrl-sci2013★ 55 cited

Constructing Metallic Nanoroad on MoS2 Monolayer via Hydrogenation

Yongqing Cai, Zhaoqiang Bai, Hui Pan +3

Monolayer transition metal dichalcogenides recently emerge as a new family of two-dimensional material potentially suitable for numerous applications in electronic and optoelectron…

cond-mat.mtrl-sci2013★ 28 cited

Giant Quasiparticle Bandgap Modulation in Graphene Nanoribbons Supported on Weakly Interacting Surfaces

Xueping Jiang, Neerav Kharche, Paul Kohl +5

In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy o…

cond-mat.mtrl-sci2013

Intrinsic Magnetism of Grain Boundaries in Two-dimensional Metal Dichalcogenides

Zhuhua Zhang, Xiaolong Zou, Vincent H. Crespi +1

Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichal…

cond-mat.mtrl-sci2013★ 451 cited

Carbyne from first principles: Chain of C atoms, a nanorod or a nanorope?

Mingjie Liu, Vasilii I. Artyukhov, Hoonkyung Lee +2

We report an extensive study of the properties of carbyne using first-principles calculations. We investigate carbyne's mechanical response to tension, bending, and torsion deforma…

cond-mat.mtrl-sci2013★ 42 cited

Blue shifting of the A exciton peak in folded monolayer 1H-MoS2

Frank J. Crowne, Matin Amani, A. Glen Birdwell +7

The large family of layered transition-metal dichalcogenides is widely believed to constitute a second family of two-dimensional (2D) semiconducting materials that can be used to c…

cond-mat.mtrl-sci2013★ 5 cited

Low-frequency surface plasmon excitations in multicoaxial negative-index metamaterial cables

M. S. Kushwaha, B. Djafari-Rouhani

By using an elegant response function theory, which does not require matching of the messy boundary conditions, we investigate the surface plasmon excitations in the multicoaxial c…

cond-mat.mtrl-sci2013★ 11 cited

Theory of confined plasmonic waves in coaxial cylindrical cables fabricated of metamaterials

M. S. Kushwaha, B. Djafari-Rouhani

We report on the theoretical investigation of the plasmonic wave propagation in the coaxial cylindrical cables fabricated of both right-handed medium (RHM) [with , ] and…

cond-mat.mtrl-sci2013★ 6 cited

Surface plasmons in coaxial metamaterial cables

Manvir S. Kushwaha, Bahram Djafari-Rouhani

Thanks to Victor Veselago for his hypothesis of negative index of refraction, metamaterials -- engineered composites -- can be designed to have properties difficult or impossible t…

cond-mat.mtrl-sci2013★ 24 cited

Review of Anisotropic Terahertz Material Response

T. Arikawa, Q. Zhang, L. Ren +2

Anisotropy is ubiquitous in solids and enhanced in low-dimensional materials. In response to an electromagnetic wave, anisotropic absorptive and refractive properties result in dic…

cond-mat.mtrl-sci2013★ 17 cited

Neutral defects in SrTiO3 studied with screened hybrid density functional theory

Fedwa El-Mellouhi, Edward N Brothers, Melissa J Lucero +1

The properties of neutral defects in SrTiO3 are calculated using the screened hybrid density functional of Heyd, Scuseria, and Ernzerhof. The formation energies, the crystal field…

cond-mat.mtrl-sci2013★ 199 cited

Density Functionals that Recognize Covalent, Metallic, and Weak Bonds

Jianwei Sun, Bing Xiao, Yuan Fang +6

Computationally-efficient semilocal approximations of density functional theory at the level of the local spin density approximation (LSDA) or generalized gradient approximation (G…

cond-mat.mtrl-sci2013★ 168 cited

Mechanically induced metal-insulator transition in carbyne

Vasilii I. Artyukhov, Mingjie Liu, Boris I. Yakobson

First-principles calculations for carbyne under strain predict that the Peierls transition from symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material…

cond-mat.mtrl-sci2013★ 705 cited

Second harmonic microscopy of monolayer MoS2

Nardeep Kumar, Sina Najmaei, Qiannan Cui +4

We show that the lack of inversion symmetry in monolayer MoS2 allows strong optical second harmonic generation. Second harmonic of an 810-nm pulse is generated in a mechanically ex…

cond-mat.mtrl-sci2013★ 15 cited

Physical Removal of Metallic Carbon Nanotubes from Nanotube Network Devices Using a Thermal and Fluidic Process

Alexandra C. Ford, Michael Shaughnessy, Bryan M. Wong +6

Electronic and optoelectronic devices based on thin films of carbon nanotubes are currently limited by the presence of metallic nanotubes. Here we present a novel approach based on…

cond-mat.mtrl-sci2013★ 1.9k cited

Vapor Phase Growth and Grain Boundary Structure of Molybdenum Disulfide Atomic Layers

Sina Najmaei, Zheng Liu, Wu Zhou +7

Single layered molybdenum disulfide with a direct bandgap is a promising two-dimensional material that goes beyond graphene for next generation nanoelectronics. Here, we report the…