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The proposal of using the field-effect for doping organic crystals has raised enormous interest. To assess the feasibility of such an approach, we investigate the effect of a strong electric field on the electronic structure of C60…

Materials Science · Physics 2007-05-23 Erik Koch , Olle Gunnarsson , Samuel Wehrli , Manfred Sigrist

A microscopic model for describing ferroelectric nanoparticles is proposed which allows us to calculate the polarization as a function of an external electric field, the temperature, the defect concentration and the particle size. The…

Statistical Mechanics · Physics 2015-06-25 Th. Michael , S. Trimper , J. M. Wesselinowa

Electronic structure calculations indicate that the Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary sub-bands with weak kinetic electron hopping plus a flat sub-band that…

We use combine high resolution neutron diffraction (HRPD) with density functional theory (DFT) to investigate the exchange striction at the Curie temperature (TC) of Fe2P and to examine the effect of boron and carbon doping on the P site.…

Materials Science · Physics 2013-07-26 Z. Gercsi , E. K. Delczeg-Czirjak , L. Vitos , A. S. Wills , A. Daoud-Aladine , K. G. Sandeman

The effects of doping on the electronic evolution of the Mott insulating state have been extensively studied in efforts to understand mechanisms of emergent quantum phases of materials. The study of these effects becomes ever more…

Strongly Correlated Electrons · Physics 2023-11-21 E. Garcia , R. Cong , P. C. Forino , A. Tassetti , G. Allodi , A. P. Reyes , P. M. Tran , P. M. Woodward , C. Franchini , S. Sanna , V. F. Mitrović

Fe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic…

Ordinary ice has a proton-disordered phase which is kinetically metastable, unable to reach, spontaneously, the ferroelectric (FE) ground state at low temperature where a residual Pauling entropy persists. Upon light doping with KOH at low…

Materials Science · Physics 2021-01-01 Jorge Lasave , Sergio Koval , Alessandro Laio , Erio Tosatti

Ferroelectric quantum criticality in perovskite oxides offers a fertile ground for emergent collective phenomena. Here we develop a first-principles-inspired quantum-statistics-based theoretical analysis of the ferroelectric order and…

Materials Science · Physics 2025-11-12 F. Yang , L. Q. Chen

The doping and temperature dependent conductivity of electron-doped cuprates is analysed. The variation of kinetic energy with doping is shown to imply that the materials are approximately as strongly correlated as the hole-doped materials.…

Strongly Correlated Electrons · Physics 2015-01-09 A. J. Millis , A. Zimmers , R. P. S. M. Lobo , N. Bontemps

Epitaxial strain has been shown to drive structural phase transitions along with novel functionalities in perovskite-based thin-films. Aliovalent doping at the A-site can drive an insulator-to-metal and magnetic transitions in perovskites…

Materials Science · Physics 2019-09-11 Paresh Chandra Rout , Varadharajan Srinivasan

An atomistic approach is used to investigate finite-temperature properties of ferroelectric nanodots that are embedded in a polarizable medium. Different phases are predicted, depending on the ferroelectric strengths of the material…

Materials Science · Physics 2009-11-11 S. Prosandeev , L. Bellaiche

We study the doping dependence of the spin-density-wave (SDW) state in four models of the 1111 pnictides. The random-phase approximation is used to determine the ordering temperature and the ordering vector as functions of doping, and to…

Superconductivity · Physics 2012-06-22 Jacob Schmiedt , P. M. R. Brydon , Carsten Timm

Metal-ion doping can effectively regulate the metal-insulator transition temperature in $\mathrm{VO}_2$. Experiments found that the pentavalent and hexavalent ion doping dramatically reduces the transition temperature while the trivalent…

Materials Science · Physics 2020-01-09 Yin Shi , Long-Qing Chen

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

Materials Science · Physics 2016-02-29 Nicole A. Benedek , Turan Birol

The experimental observation of superconductivity in LaFeAsO appearing on doping is analyzed with the group-theoretical approach that evidently led in a foregoing paper (J. Supercond 24:2103, 2011) to an understanding of the cause of both…

Superconductivity · Physics 2021-06-08 Ekkehard Krüger , Horst P. Strunk

Fluorite oxides such as HfO$_2$ exhibit rich and tunable phase behavior, making them promising candidates for next generation electronic devices. A key challenge is to design amorphous HfO$_2$-based high-$k$ materials with both structural…

Materials Science · Physics 2025-06-24 Hao Yang , Qiaotong Luan , Qing Zhang , Yuhao Yue , Yawen Xu , Xiaohui Liu , Zheng Wen , Zhaoru Sun

BaTiO3 is typically a strong n-type material with tuneable optoelectronic properties via doping and controlling the synthesis conditions. It has a wide band gap that can only harness the ultraviolet region of the solar spectrum. Despite…

Dielectric permittivity and infrared reflectivity spectra of Li doped KNbO3 single crystals have been studied for the first time for K1-xLixNbO3 (KLN) with x = 0.015, 0.02, 0.065. It was found that like in KTaO3, Li admixture results in…

Other Condensed Matter · Physics 2007-05-23 V. A. Trepakov , M. L. Savinov , V Zelezny , P. P. Syrnikov , A. G. Deyneka , L. Jastrabik

We have investigated the fluorine-doping dependence of lattice constants, transports and specific heat for polycrystalline LaFePO1-xFx. F doping slightly and monotonically decreases the in-plane lattice parameter. In the normal state,…

Superconductivity · Physics 2015-05-14 S. Suzuki , S. Miyasaka , S. Tajima , T. Kida , M. Hagiwara

Since the early days of the discovery of hole doped high-Tc cuprates, the variation of the oxygen isotope exponent (IE) with the number of doped holes, p, in the CuO2 planes has been a source of considerable debate. There is a growing…

Superconductivity · Physics 2012-07-19 S. H. Naqib , R. S. Islam
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