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20022009
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

23 papers

cond-mat.mtrl-sci20091 cited

Study of diffuse scattering under hydrostatic pressure in PbMg1/3Nb2/3O3

G -M Rotaru, B Padmanabhan, S N Gvasaliya +5

We report measurements of the evolution of the diffuse scattering in a single crystal PbMg1/3Nb2/3O3 as a function of hydrostatic pressure. Upon applying pressure the diffuse scatt…

cond-mat.mtrl-sci200929.3k cited

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

P. Giannozzi, S. Baroni, N. Bonini +30

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudop…

cond-mat.mtrl-sci200915 cited

Boosting electronic transport in carbon nanotubes by isotopic disorder

Niels Vandecasteele, Michele Lazzeri, Francesco Mauri

The current/voltage curve of metallic carbon nanotubes (CNTs) displays at high bias a sudden increase of the resistivity due to the scattering of electrons with phonons having an a…

cond-mat.mtrl-sci2009111 cited

Graphene made easy: high quality, large-area samples

Abhay Shukla, Rakesh Kumar, Javed Mazher +1

We show that by using an original method, bulk graphite can be bonded onto borosilicate glass or potentially any insulating substrate with ionic conductivity and then cleaved off t…

cond-mat.mtrl-sci2009

Crystal structure of synthetic Mg3Cr2Si3O12, the high-pressure Cr end-member of the knorringite-pyrope garnet series

Amélie Juhin, Guillaume Morin, Eric Elkaim +3

Knorringite, the Cr-end-member of the pyrope garnet series (Nixon et al. 1968), often occur in high proportions in kimberlite garnets and is thus used for tracing high-pressure dee…

cond-mat.str-el200827 cited

Sharp optical phonon softening close to optimal doping in LaBaCuO

Matteo D'Astuto, Guy Dhalenne, Jeff Graf +6

We report a direct observation of a sharp Kohn-like anomaly in the doubly degenerate copper-oxygen bond-stretching phonon mode occurring at in La$_…