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20022023
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2012 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci201232 cited

Channeling of a sub-angstrom electron beam in a crystal mapped to two-dimensional molecular orbitals

Robert Hovden, Huolin L. Xin, David A. Muller

The propagation of high-energy electrons in crystals is in general a complicated multiple scattering problem. However, along high-symmetry zone axes the problem can be mapped to th…

cond-mat.mtrl-sci201274 cited

Graphene as a reversible spin manipulator of molecular magnets

Sumanta Bhandary, Saurabh Ghosh, Heike Herper +3

One of the primary objectives in molecular nano-spintronics is to manipulate the spin states of organic molecules with a d-electron center, by suitable external means. In this lett…

cond-mat.mtrl-sci201274 cited

The Magnetoelectric Effect in Transition Metal Oxides: Insights and the Rational Design of New Materials from First Principles

Turan Birol, Nicole A. Benedek, Hena Das +6

The search for materials displaying a large magnetoelectric effect has occupied researchers for many decades. The rewards could include not only advanced electronics technologies,…

cond-mat.mtrl-sci201283 cited

Reversible Control of Magnetic Interactions by Electric Field in a Single Phase Material

P. J. Ryan, J. -W. Kim, T. Birol +9

Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This p…

cond-mat.mtrl-sci201212 cited

Self-compensation in highly n-type InN

C. Rauch, F. Tuomisto, P. D. C. King +3

Acceptor-type defects in highly n-type InN are probed using positron annihilation spectroscopy. Results are compared to Hall effect measurements and calculated electron mobilities.…

cond-mat.mtrl-sci201222 cited

Magnetodielectric coupling and phonon properties of compressively strained EuTiO3 thin films deposited on LSAT

S. Kamba, V. Goian, M. Orlita +13

Compressively strained epitaxial (001) EuTiO3 thin films of tetragonal symmetry have been deposited on (001) (LaAlO3)_0.29-(SrAl_{1/2}Ta_{1/2}O3)_0.71 (LSAT) substrates by reactive…