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19972026
most citedThe SIESTA method for ab initio order-N materials simulation

12k citations

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35 papers · 1 filter

cond-mat.str-el2026

The bixbyite framework as a platform for frustrated noncollinear magnetism: resolving the magnetic ground state of -FeO

Chenjun Tang, Ondřej Malina, Jiři Tuček +3

Magnetic behavior across FeO polymorphs varies widely despite identical chemistry, highlighting crystal architecture as a key determinant of exchange topology, magnetic ani…

cond-mat.str-el2023★ 10 cited

Strain-Tuned Magnetic Frustration in a Square Lattice - Material

I. Biało, L. Martinelli, G. De Luca +16

Magnetic frustration is a route that can lead to the emergence of novel ground states, including spin liquids and spin ices. Such frustration can be introduced through either the g…

cond-mat.str-el2022★ 5 cited

Jahn-Teller states mixed by spin-orbit coupling in an electromagnetic field

Alejandro S. Miñarro, Gervasi Herranz

Spin-orbit coupling plays a pivotal role in condensed matter physics. For instance, spin-orbit interactions affect the magnetization and transport dynamics in solids, while spins a…

cond-mat.str-el2021★ 42 cited

Electron-Phonon Coupling and Electron-Phonon Scattering in SrVO

Mathieu Mirjolet, Francisco Rivadulla, Premysl Marsik +3

Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlation…

cond-mat.str-el2020★ 1 cited

Weak localization competes with the quantum oscillations in a natural electronic superlattice: the case of Na(PO)(WO)

Kamil K. Kolincio, Olivier Pérez, Enric Canadell +5

We report an investigation of the combined structural and electronic properties of the bronze Na(PO)(WO). Its low dimensional structure and possibl…

cond-mat.str-el2018★ 9 cited

Fermi surface properties of the bifunctional organic metal -(BETS)Mn[N(CN)] near the metal--insulator transition

V. N. Zverev, W. Biberacher, S. Oberbauer +4

We present detailed studies of the high-field magnetoresistance of the layered organic metal -(BETS)\-Mn\-[N(CN)] under a pressure slightly above the insulator-metal…

cond-mat.str-el2018★ 8 cited

Spin-orbit effects surfacing on manganites

S. Valencia, M. J. Calderón, L. López-Mir +6

Spin-orbit coupling in magnetic systems lacking inversion symmetry can give rise to non trivial spin textures. Magnetic thin films and heterostructures are potential candidates for…

cond-mat.str-el2017★ 14 cited

Infrared ellipsometry study of the photo-generated charge carriers at the (001) and (110) surfaces of SrTiO crystals and the interface of corresponding LaAlO/SrTiO heterostructures

M. Yazdi-Rizi, P. Marsik, B. P. P. Mallett +7

With infrared (IR) ellipsometry and DC resistance measurements we investigated the photo-doping at the (001) and (110) surfaces of SrTiO (STO) single crystals and at the corres…

cond-mat.str-el2016★ 3 cited

New insights on frequency combinations and 'forbidden frequencies' in de Haas-van Alphen spectrum of \k{appa}-(ET) 2 Cu(SCN) 2

Alain Audouard, Jean-Yves Fortin, David Vignolles +3

De Haas-van Alphen oscillations of the organic metal \k{appa}-(ET) 2 Cu(SCN) 2 have been measured up to 55 T at liquid helium temperatures. The Fermi surface of this charge transfe…

cond-mat.str-el2016★ 18 cited

Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons

Blai Casals, Rafael Cichelero, Pablo García Fernández +7

We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2/3Ca1/3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transi…

cond-mat.str-el2015★ 80 cited

Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridate

Jian Liu, D. Kriegner, L. Horak +10

By using a combination of heteroepitaxial growth, structure refinement based on synchrotron x-ray diffraction and first-principles calculations, we show that the symmetry-protected…

cond-mat.str-el2014★ 8 cited

Ruthenium-Europium configuration in the Eu2Ru2O7 pyrochlore

S. Muñoz Pérez, R. Cobas, J. M. Cadogan +3

The magnetic and electronic properties of Eu2Ru2O7 are discussed in terms of the local ruthenium and europium coordinations, electronic band structure calculations and molecular or…

cond-mat.str-el2014★ 2 cited

De Haas-van Alphen oscillations in the compensated organic metal alpha-'pseudo-kappa'-(ET)4H3O[Fe(C2O4)3].(C6H4Br2)

Alain Audouard, Enric Canadell, Jean-Yves Fortin +4

Field-, temperature- and angle-dependent Fourier amplitude of de Haas-van Alphen (dHvA) oscillations are calculated for compensated two-dimensional (2D) metals with textbook Fermi…

cond-mat.str-el2013★ 10 cited

Possible Scale Invariant Linear Magnetoresistance in Pyrochlore Iridates BiIrO

Jiun-Haw Chu, Jian Liu, Han Zhang +13

We report the observation of a linear magnetoresistance in single crystals and epitaxial thin films of the pyrochlore iridate BiIrO. The linear magnetoresistance is pos…

cond-mat.str-el2013★ 1 cited

Orientational tuning of the 2D-superconductivity in LaAlO3/SrTiO3 interfaces

G. Herranz, N. Bergeal, J. Lesueur +5

The discovery of a two-dimensional (2D) electron gas at the (110)-oriented LaAlO3/SrTiO3 in- terface provided us with the opportunity to probe the effect of crystallographic orient…

cond-mat.str-el2013★ 10 cited

Onsager phase factor of quantum oscillations in the organic metal theta-(BEDT-TTF)4CoBr4(C6H4Cl2)

Alain Audouard, Jean-Yves Fortin, David Vignolles +4

De Haas-van Alphen oscillations are studied for Fermi surfaces illustrating the Pippard's model, commonly observed in multiband organic metals. Field- and temperature-dependent amp…

cond-mat.str-el2012★ 26 cited

Magnetic frustration, phase competition and the magneto-electric effect in NdFe3(BO3)4

J. E. Hamann-Borrero, S. Partzsch, S. Valencia +9

We present an element selective resonant magnetic x-ray scattering study of NdFe3(BO3)4 as a function of temperature and applied magnetic field. Our measurements show that the magn…

cond-mat.str-el2011★ 169 cited

Spin-phonon coupling effects in transition-metal perovskites:a DFT+ and hybrid-functional study

Jiawang Hong, Alessandro Stroppa, Jorge Íñiguez +2

Spin-phonon coupling effects, as reflected in phonon frequency shifts between ferromagnetic (FM) and G-type antiferromagnetic (AFM) configurations in cubic CaMnO, SrMnO, Ba…

cond-mat.str-el2011★ 25 cited

Quantum oscillations in the linear chain of coupled orbits: the organic metal with two cation layers theta-(ET)(4)CoBr(4)(C(6)H(4)Cl(2))

Alain Audouard, Jean-Yves Fortin, David Vignolles +7

Analytical formulae for de Haas-van Alphen (dHvA) oscillations in linear chain of coupled two-dimensional (2D) orbits (Pippard's model) are derived systematically taking into accou…

cond-mat.str-el2011★ 58 cited

Valence change of praseodymium in Pr0.5Ca0.5CoO3 investigated by x-ray absorption spectroscopy

J. Herrero-Martín, J. L. García-Muñoz, S. Valencia +8

X-ray absorption spectroscopy measurements in Pr0.5Ca0.5CoO3 were performed at the Pr M4,5, Pr L3, and Ca L2,3 absorption edges as a function of temperature below 300 K. Ca spectra…

cond-mat.str-el2011★ 6 cited

Temperature- and pressure-dependent metallic states in (BEDT-TTF)8[Hg4Br12(C6H5Br)2]

Alain Audouard, Fabienne Duc, David Vignolles +6

Temperature-driven metal-insulator and pressure-driven insulator-metal transitions observed in(BEDT-TTF)8[Hg4X12(C6H5Y)2]] with X = Y = Br are studied through band structure calcul…

cond-mat.str-el2011★ 14 cited

The metallic transport of (TMTSF)_2X organic conductors close to the superconducting phase

Pascale Auban-Senzier, Denis Jérome, Nicolas Doiron-Leyraud +7

Comparing resistivity data of quasi-one dimensional superconductors (TMTSF)_2PF_6 and (TMTSF)_2ClO_4 along the least conducting c*-axis and along the high conductivity a -axis as a…

cond-mat.str-el2011★ 27 cited

Structural changes at the semiconductor-insulator phase transition in the single layered La0.5Sr1.5MnO4 perovskite

J. Herrero-Martin, J. Blasco, J. Garcia +2

The semiconductor-insulator phase transition of the single-layer manganite La0.5Sr1.5MnO4 has been studied by means of high resolution synchrotron x-ray powder diffraction and reso…

cond-mat.str-el2009★ 5 cited

Indication for the coexistence of closed orbit and quantum interferometer with the same cross section in the organic metal (ET)4(H3O)[Fe(C2O4)3].C6H4Cl2: Persistence of SdH oscillations above 30 K

David Vignolles, Alain Audouard, Vladimir N. Laukhin +3

Shubnikov-de Haas (SdH) and de Haas-van Alphen (dHvA) oscillations spectra of the quasi-two dimensional charge transfer salt "-(ET)(HO)[Fe(CO)]CH$…