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Nonlinear frequency conversion unlocks technologies ranging from telecommunications to quantum computation; however, weak nonlinearities and architectures that resist miniaturization currently limit devices. Here, we combine a…

The macroscopic dielectric function in the random-phase-approximation without local field effect has been implemented using the local density approximation with an all electron, full-potential linear muffin-tin orbital basis-set. This…

Condensed Matter · Physics 2009-10-28 M. Alouani , J. M. Wills

It is shown that strong 0+2 -> 0+1 E0 transitions provide a clear signature of phase transitional behavior in finite nuclei. Calculations using the IBA show that these transition strengths exhibit a dramatic and robust increase in…

Nuclear Theory · Physics 2009-11-10 P. von Brentano , V. Werner , R. F. Casten , C. Scholl , E. A. McCutchan , R. Kruecken , J. Jolie

Optical properties of GaAsN system with nitrogen concentrations in the range of 0.9-3.7% are studied by full-potential LAPW method in a supercell approach. The E+ transition is identified by calculating the imaginary part of the dielectric…

Materials Science · Physics 2012-12-07 V. Timoshevskii , N. Madini , M. Cote , R. Leonelli

Electro-optic active metasurfaces have attracted attention due to their ability to electronically control optical wavefront with unprecedented spatiotemporal resolutions. In most studies, such devices require gate arrays composed of a large…

Optics · Physics 2025-08-28 Sangjun Han , Jinseok Kong , Junho Choi , Won Chegal , Min Seok Jang

Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the first and second substrate layer. This leads locally to a…

The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…

Chemical Physics · Physics 2022-02-14 Janus J. Eriksen

Quantum reflection of thermal He atoms from various surfaces (glass slide, GaAs wafer, flat and structured Cr) at grazing conditions is studied within the elastic close-coupling formalism. Comparison with the experimental results of B.S.…

Quantum Physics · Physics 2020-03-04 G. Rojas-Lorenzo , J. Rubayo-Soneira , S. Miret-Artés , Eli Pollak

In the present paper, the connection between surface order-disorder phase transitions and the percolating properties of the adsorbed phase has been studied. For this purpose, four lattice-gas models in presence of repulsive interactions…

Computational Physics · Physics 2009-11-13 M. Cecilia Gimenez , Felix Nieto , Antonio J. Ramirez-Pastor

Transition-metal dichalcogenide IrTe2 has attracted attention because of striped lattice, charge ordering and superconductivity. We have investigated the surface structure of IrTe2, using low energy electron diffraction (LEED) and scanning…

Materials Science · Physics 2017-04-05 Chen Chen , Jisun Kim , Yifan Yang , Guixin Cao , Rongying Jin , E. W. Plummer

We investigated the stable silicon (113) surface with a 3x2ADI reconstruction by ab-initio methods. The ground state properties have been obtained using the density-functional theory. We present the dispersion of the electronic band…

Materials Science · Physics 2009-11-11 Katalin Gaal-Nagy , Giovanni Onida

The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…

Materials Science · Physics 2009-01-19 Pere Roura , Jordi Farjas

Re-using the substrate is identified as a method for reducing the cost of high efficiency III-V solar cells. The approach investigated here consists in inserting a graphene layer onto a (001)GaAs substrate prior to the epitaxial growth of…

Spectroscopic ellipsometry (SE) has emerged as a powerful and non-destructive optical characterization technique for probing the complex dielectric properties of two-dimensional (2D) materials. This review provides a comprehensive overview…

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further…

Strongly Correlated Electrons · Physics 2015-03-06 R. Y. Chen , Y. G. Shi , P. Zheng , L. Wang , T. Dong , N. L. Wang

Si/Ge heteroepitaxial dots under tensile strain are grown on nanostructured Ge substrates produced by high-temperature flash heating exploiting the spontaneous faceting of the Ge(001) surface close to the onset of surface melting. A very…

Mesoscale and Nanoscale Physics · Physics 2019-04-18 L. Persichetti , M. Fanfoni , B. Bonanni , M. De Seta , L. Di Gaspare , C. Goletti , L. Ottaviano , A. Sgarlata

Two aspects of the contribution of grazing incidence fast atom diffraction (GIFAD) to molecular beam epitaxy (MBE) are reviewed here: the ability of GIFAD to provide \emph{in-situ} a precise description of the atomic-scale surface topology,…

Transition metal monopnictides represent a new class of topological semimetals with low-energy excitations, namely, Weyl fermions. We report optical properties across a wide spectral energy range for TaAs, TaP, NbAs and NbP, calculated…

Materials Science · Physics 2018-12-03 Davide Grassano , Friedhelm Bechstedt , Olivia Pulci

The angular response of thin diffractive optical elements is highly correlated. For example, the angles of incidence and diffraction of a grating are locked through the grating momentum determined by the grating period. Other diffractive…

Planar tunneling junctions of the presumably unconventional superconductor FeSe were prepared and investigated. The junctions consisted of FeSe/AlOx/Ag multilayers patterned lithographically into mesa structures. Bias voltage dependent…

Superconductivity · Physics 2018-01-30 Eike Venzmer , Alexander Kronenberg , Martin Jourdan