output
19922026
researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2007 · cond-mat.mtrl-sciShow all

7 papers · 2 filters

cond-mat.mtrl-sci2007★ 133 cited

Electrically-driven phase transition in magnetite nanostructures

Sungbae Lee, Alexandra Fursina, John T. Mayo +5

Magnetite (FeO), an archetypal transition metal oxide, has been used for thousands of years, from lodestones in primitive compasses[1] to a candidate material for magne…

cond-mat.mtrl-sci2007★ 12k cited

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka +5

Successful modern generalized gradient approximations (GGA's) are biased toward atomic energies. Restoration of the first-principles gradient expansion for exchange over a wide ran…

cond-mat.mtrl-sci2007★ 123 cited

Exact-exchange energy density in the gauge of a semilocal density functional approximation

Jianmin Tao, Viktor N. Staroverov, Gustavo E. Scuseria +1

Exact-exchange energy density and energy density of a semilocal density functional approximation are two key ingredients for modeling the static correlation, a strongly nonlocal fu…

cond-mat.mtrl-sci2007★ 165 cited

Edge Effects in Finite Elongated Graphene Nanoribbons

Oded Hod, Juan E. Peralta, Gustavo E. Scuseria

We analyze the relevance of finite-size effects to the electronic structure of long graphene nanoribbons using a divide and conquer density functional approach. We find that for hy…

cond-mat.mtrl-sci2007★ 310 cited

Half-metallic graphene nanodots

Oded Hod, Veronica Barone, Gustavo E. Scuseria

A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite rectangular graphene nanoribbons is presented. We identify the bi…

cond-mat.mtrl-sci2007★ 552 cited

Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons

Oded Hod, Veronica Barone, Juan E. Peralta +1

We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidatio…

cond-mat.mtrl-sci2007★ 150 cited

Exchange and Correlation in Open Systems of Fluctuating Electron Number

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka +4

While the exact total energy of a separated open system varies linearly as a function of average electron number between adjacent integers, the energy predicted by semi-local densi…