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Phase diagrams of isoelectronic Eu$_{1-x}$Gd$_x$O and Eu$_{1-x}$Gd$_{x}$S quasi-binary alloy systems are constructed using first-principles calculations combined with the standard cluster expansion approach and Monte-Carlo simulations. The…

Materials Science · Physics 2011-03-15 J. M. An , S. V. Barabash , V. Ozolins , M. van Schilfgaarde , K. D. Belashchenko

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

Materials Science · Physics 2014-09-17 Dat T. Do , S. D. Manhanti

We discover a robust coexistence of superconductivity and ferromagnetism in an iron arsenide RbEuFe$_4$As$_4$. The new material crystallizes in an intergrowth structure of RbFe$_2$As$_2$ and EuFe$_2$As$_2$, such that the Eu sublattice turns…

A possible connection between extremely large magneto-resistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition metal phosphide WP2 has been…

Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…

We present a detailed room temperature x-ray powder diffraction study on La2-xSrxNiO4+d with 0<=x<=0.12 and 0<=d<=0.13. For x=0.02, 0.04 and 0.06 the oxygen content phase diagrams of the Sr doped samples show a similar sequence of pure…

Superconductivity · Physics 2009-11-10 M. Huecker , K. Chung , M. Chand , T. Vogt , J. M. Tranquada , D. J. Buttrey

An electron spin resonance (ESR) and photoluminescence signal is observed in the as grown single crystal of stishovite indicating the presence of defects in the non-irradiated sample. Photoluminescence of the as received stishovite single…

Materials Science · Physics 2021-09-08 A. N. Trukhin , A. Antuzevics

The band gap of SrTiO$_{3}$ retards its photocatalytic application. Regardless narrowing the band gap of the anion doped SrTiO$_{3}$, the anion doping structures have low photoconversion efficiency. The co-cation dopings are used to modify…

Materials Science · Physics 2015-10-27 M. M. Fadlallah , T. J. H. Vlugt , M. F. Shibl

Near-infrared phosphor-converted light-emitting diodes (NIR pc-LEDs) are compact light sources of great interest for NIR spectroscopy applications. Beyond typical Cr3+-activated NIR-emitting phosphors, there exists a strong demand for…

In mixed-valence or heavy-fermion systems, the hybridization between local $f$ orbitals and conduction band states can cause the suppression of long-range magnetic order, which competes with strong spin fluctuations. Ce- and Yb-based…

We perform hybrid density functional calculation to study the energetics, electronic properties, optical transitions, and migration barriers of native defects in CaWO$_4$. Oxygen and calcium vacancies are most likely to form in the absence…

Materials Science · Physics 2026-05-26 Minseok Choi , Mark E. Turiansky , BaiQing Zhao , Jeff D. Thompson , Chris G. Van de Walle

TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only…

Materials Science · Physics 2020-09-25 Manish Kumar , Pooja Basera , Shikha Saini , Saswata Bhattacharya

MgGa2O4 and MgAl2O4 have attracted significant interest due to their unique intrinsic persistent luminescence, offering promising potential for various applications. In this paper, from the perspective of defect physics, we systemically…

Materials Science · Physics 2025-07-30 Xiuli Yang , Ran Zhou , Hongliang Shi , Yifeng Duan , Mao-Hua Du

Eu modified Na1/2Bi1/2TiO3 (NBT) was investigated for electric-field induced Eu+3 photoluminescence (PL) and structural changes. Detailed analysis revealed that below a critical Eu composition electric field irreversibly suppresses the…

Materials Science · Physics 2015-07-29 Abhijeet Kalaskar , Badari Narayana Rao , Tiju Thomas , Rajeev Ranjan

Double perovskite, (Sr1-xNdx)2FeMoO6, was doped with electrons through partial substitution of divalent Sr by trivalent Nd (0 < x < 0.2). The Fe valence and the degree of B-site order were probed by 57Fe Mossbauer spectroscopy. Replacing Sr…

Strongly Correlated Electrons · Physics 2009-11-10 J. Linden , T. Shimada , T. Motohashi , H. Yamauchi , M. Karppinen

The relationship between the luminescence at 1.9 eV and the absorption bands at 2.0 eV and at 4.8 eV were investigated in a wide variety of synthetic silica samples exposed to different gamma- and beta-ray irradiation doses. We found that…

Materials Science · Physics 2007-05-23 L. Vaccaro , M. Cannas , B. Boizot

The longstanding problem of interpretation of satellite structures in core level photoemission spectra of metallic systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO$_2$. Comparison of…

We investigate the temporal evolution of electronic states in strontium iridate Sr$_2$IrO$_4$. The time resolved photoemission spectra of intrinsic, electron doped and the hole doped samples are monitored in identical experimental…

Strongly Correlated Electrons · Physics 2016-07-12 C. Piovera , V. Brouet , E. Papalazarou , M. Caputo , M. Marsi , A. Taleb-Ibrahimi , B. J. Kim , L. Perfetti

The technological world is in search of environmentally friendly methods of generating energy for the use of the ever growing needs of power for sustainable development of visually all facet of life. Solar energy form an environmentally…

We present a broadband optical-conductivity study of superconducting single-crystalline EuFe2(As1-xPx)2 with three different substitutional levels. We analyze the normal-state electrodynamics by decomposing the conductivity spectra using a…