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We investigated the crystal structure and lattice excitations of the ternary intermetallic stannide Ca3Ir4Sn13 using neutron and x-ray scattering techniques. For T > T* ~ 38 K the x-ray diffraction data can be satisfactorily refined using…

We report direct experimental evidence of antiferroelectric to paraelectric phase transition under pressure in NaNbO3 using neutron diffraction at room temperature. The paraelectric phase is found to stabilize above 8 GPa and its crystal…

Materials Science · Physics 2015-06-11 S. K. Mishra , M. K. Gupta , R. Mittal , S. L. Chaplot , Thomas Hansen

We report a temperature-dependent neutron diffraction (ND) study on polycrystalline monoclinic BaIrO$_3$ which is famous for charge density wave (CDW) and weak ferromagnetic phase transitions at T$_C$$\sim$180 K simultaneously. A Rietveld…

Strongly Correlated Electrons · Physics 2023-08-17 Bin Chang , Jinwon Jeong , Han-Jin Noh , Seongsu Lee

Transition metal oxides, which have a perovskite structure, have received much attention in recent decades. This is because of the very suitable properties that can be used in various industries. One of the fields where the properties of…

Materials Science · Physics 2024-08-20 Zdeněk Jansa , Štěpánka Jansová , Lucie Nedvědová , Ján Minár

We have carried out powder x-ray diffraction and dielectric studies on the lead free solid solution (1-x)SrTiO3-xBi(Zn1/2Ti1/2)O3 ((1-x)ST-xBZT) with x=0.05, 0.10, 0.15, 0.20, 0.30 and 0.50 to explore the ferroelectric and piezoelectric…

Materials Science · Physics 2013-11-18 Rishikesh Pandey , Ravi Kiran Pillutla , Uma Shankar , Akhilesh Kumar Singh

The structure of Nd$_{1-x}$Pb$_{x}$MnO$_{3}$ crystals is determined by single crystal X-ray diffraction. Substitution of Pb at the Nd site results in structural phase change from tetragonal (x = 0.25) to cubic (x = 0.37). These changes are…

Strongly Correlated Electrons · Physics 2007-05-23 Nilotpal Ghosh , Suja Elizabeth , H. L. Bhat , G. Nalini , B. Muktha , T. N. Guru Row

Sr1-xMnxTiO3 (where x = 0.03, 0.05, 0.07 and 0.09) was synthesized via different routes that include solid-state, oxalate precipitation and freeze drying. In oxalate precipitation technique, compositions corresponding to 3 and 5 mol %…

Materials Science · Physics 2012-05-08 K. R. S. Preethi Meher , C. Bogicevic , Pierre-Eymeric Janolin , K. B. R. Varma

Through powder x-ray diffraction we have investigated the structural behavior of SmVO3, in which orbital and magnetic degrees of freedom are believed to be closely coupled to the crystal lattice. We have found, contrary to previous reports,…

We have performed high resolution x-ray scattering measurements on single crystal samples of Ba(Fe(1-x)Cr(x))2As2 (x = 0 to 0.335). These measurements examine the effect of Cr-doping on the high temperature tetragonal (I4/mmm) to low…

Strongly Correlated Electrons · Physics 2012-03-06 J. P. Clancy , B. D. Gaulin , A. S. Sefat

We performed neutron powder diffraction measurements on (Bi$_{0.5}$Na$_{0.5+x}$)TiO$_3$ and (Bi$_{0.5+y}$Na$_{0.5}$)TiO$_3$ to study structural evolution induced by the non-stoichiometry. Despite the non-stoichiometry, the local structure…

Materials Science · Physics 2016-01-20 I. -K. Jeong , Y. S. Sung , T. K. Song , M. -H. Kim , A. Llobet

Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…

Materials Science · Physics 2022-07-12 Simon Mellaerts , Jin Won Seo , Valeri Afanas'ev , Michel Houssa , Jean-Pierre Locquet

Ab-initio spin-polarized Density Functional Theory plus U is used to study the electronic and magnetic properties of tetragonal doped barium titanate (Ba$_{1-x}$Eu$_x$O$_3$) system for different europium (Eu$^{3+}$) concentrations. For this…

Materials Science · Physics 2021-06-04 A. P. Aslla-Quispe , R. H. Miwa , J. D. S. Guerra

We present a structural analysis of the substituted system (Ba$_{1-x}$Sr$_{x}$)CuSi$_{2}$O$_{6}$, which reveals a stable tetragonal crystal structure down to 1.5 K. We explore the structural details with lowtemperature neutron and…

We present x-ray powder diffraction (XRPD) and neutron diffraction measurements on the slightly underdoped iron pnictide superconductor Ba(1-x)K(x)Fe2As2, Tc = 32K. Below the magnetic transition temperature Tm = 70K, both techniques show an…

We report a comprehensive study of dc susceptibility, specific heat, neutron diffraction, and inelastic neutron scattering measurements on polycrystalline Ba3(Cr1-xVx)2O8 samples, where x=0, 0.06, 0.15, and 0.53. A Jahn-Teller structure…

Materials Science · Physics 2013-05-02 Tao Hong , L. Y. Zhu , X. Ke , V. O. Garlea , Y. Qiu , Y. Nambu , H. Yoshizawa , M. Zhu , G. E. Granroth , A. T. Savici , Zheng Gai , H. D. Zhou

Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain an average cubic structure down to 0K at ambient pressure, while being energetically very close to a tetragonal phase obtained by condensation of a soft phonon mode…

Materials Science · Physics 2024-03-22 Erik Fransson , Petter Rosander , Paul Erhart , Göran Wahnström

We report on optical properties of reduced BaTiO3-d at different doping levels including insulating and metallic samples. In all the samples, including metallic one, we observe structural phase transitions from the changes in the…

Strongly Correlated Electrons · Physics 2015-05-28 J. Hwang , T. Kolodiazhnyi , J. Yang , M. Couillard

The chemical ordering, electrical, optical, and magnetic properties of $Na_{0.5}Bi_{0.5}TiO_{3}$ (NBT) and 25$\%$ dysprosium doped NBT (DyNBT) were investigated in the framework of first-principles calculations using the full potential…

We report calculations of the electronic structure and optical properties of doped $n$-type perovskite BaSnO3 and layered perovskites. While doped BaSnO$_3$ retains its transparency for energies below the valence to conduction band onset,…

Materials Science · Physics 2015-02-03 Yuwei Li , Lijun Zhang , Yanming Ma , David J. Singh

Near or less than 10% Nb substitution on the Ti site in perovskite SrTiO$_3$ results in metallic behavior, in contrast to what is seen in BaTiO$_3$. Given the nearly identical structure and electron counts of the two materials, the distinct…

Materials Science · Physics 2008-12-14 Katharine Page , Taras Kolodiazhnyi , Thomas Proffen , Anthony K. Cheetham , Ram Seshadri