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We report x-ray total scattering and pair distribution function (PDF) studies of the structural relaxation around interstitial manganese (Mn$_i$) in ferromagnetic Mn$_{1+\delta}$Sb ($0.03 \le \delta \le 0.23$) alloys, guided by density…

Strongly Correlated Electrons · Physics 2015-12-09 Joshua A. Kurzman , Andrew J. Martinolich , James R. Neilson

We theoretically explore the crystal structures of K$_x$picene, for which a new aromatic superconductivity has recently been discovered for $x=3$, by systematically performing first-principles full structural optimization covering the…

Superconductivity · Physics 2015-05-30 Taichi Kosugi , Takashi Miyake , Shoji Ishibashi , Ryotaro Arita , Hideo Aoki

The equiatomic PrGe single crystal was grown by Czochralski pulling method. The grown single crystal was found to have CrB-type orthorhombic crystal structure with the space group \textit{Cmcm} (#63). Transport and magnetization data reveal…

Strongly Correlated Electrons · Physics 2012-10-30 Pranab Kumar Das , K. Ramesh Kumar , R. Kulkarni , S. K. Dhar , A. Thamizhavel

The crystal structures of potassium and cesium bistrifluoroacetates were determined at room temperature and at 20 K and 14 K, respectively, with the single crystal neutron diffraction technique. The crystals belong to the I2/a and A2/a…

Chemical Physics · Physics 2015-05-13 A. Cousson , J. F. R. Archilla , J. Tomkinson , F. Fillaux

Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

Materials Science · Physics 2013-06-20 Alexander I. Lebedev

High-resolution time-of-flight powder neutron diffraction and high-field magnetization were measured to investigate the magnetic structure and existence of a field-induced magnetic phase transition in the distorted kagome antiferromagnet…

Recent high-pressure x-ray diffraction studies of alkali metals revealed unusual complex structures that follow the body-centered and face-centered cubic structures on compression. The structural sequence of potassium under compression to 1…

Materials Science · Physics 2013-10-18 V F Degtyareva , O Degtyareva

2H MoS2 has been intensively studied because of layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS2 with the [MoS6] octahedron was observed from the microscopic area, the true crystal structure…

A new method for direct evaluation of both crystalline structure, bulk modulus B_0, and bulk-modulus pressure derivative B'_0 of solid materials with complex crystal structures is presented. The explicit and exact results presented here…

Materials Science · Physics 2009-11-10 Eleni Ziambaras , Elsebeth Schroder

Complex systems with coexisting polarity, chirality and incommensurate magnetism are of great interest because they open new degrees of freedom in interaction between different subsystems and therefore they host a plethora of intriguing…

Materials Science · Physics 2019-10-16 M. A. Prosnikov , A. N. Smirnov , V. Yu. Davydov , Y. Araki , T. Arima , R. V. Pisarev

(La,Ce)OBiS2 single crystals are successfully grown using CsCl flux. The obtained single crystals have a plate-like shape with a size of 0.5-2.0 mm and a well-developed ab-plane. The thickness of the crystals increases with a decrease in…

Although the structural phase transitions in single-crystal hybrid methyl-ammonium (MA) lead halide perovskites (MAPbX3, X = Cl, Br, I) are common phenomena, they have never been observed in the corresponding nanocrystals. Here we…

Applied Physics · Physics 2020-04-08 Yuri D. Glinka , Rui Cai , Xian Gao , Dan Wu , Rui Chen , Xiao Wei Sun

The domain structure in K2Cd2xMn2(1-x)(SO4)3 (x=0.5, 0.7 and 0.9) langbeinite crystals is studied with the aid of optical polarization microscopy. It is shown that the domain walls in ferro-elastic langbeinites separate enantiomorphous…

Materials Science · Physics 2007-09-04 R. Vlokh , I. Girnyk , O. V. Vlokh , I. Skab , A. Say , Y. Uesu

Co2MnSi (CMS) films of different thicknesses (20, 50 and 100 nm) were grown by radio frequency (RF) sputtering on a-plane sapphire substrates. Our X-rays diffraction study shows that, in all the samples, the cubic <110> CSM axis is normal…

The electronic structure of epitaxial single-layer MoS$_2$ on Au(111) is investigated by angle-resolved photoemission spectroscopy. Pristine and potassium-doped layers are studied in order to gain access to the conduction band. The…

We studied the correlation between magnetic, electrical, structural, and magnetostriction properties of the electron doped manganites Ca$_x$Sm$_{1-x}$MnO$_3$ (x = 0.85, 0.8). The paramagnetic to antiferromagnetic transition in both the…

For face-centered cubic (fcc) and tetragonal (fct) iron a large number of magnetic configurations as a function of crystal structural parameters were studied by means of density functional theory. The stability of magnetic structures was…

Materials Science · Physics 2015-06-18 D. Reith , R. Podloucky , M. Marsman , P. O. Bedolla-Velazquez , P. Mohn

The morphology and electronic structure of pentacene (Pn) deposited on Cu(111) was studied using scanning tunneling microscopy (STM) and spectroscopy (STS). Deposition of a multilayer followed by annealing to reduce coverage to a monolayer…

Mesoscale and Nanoscale Physics · Physics 2011-10-24 Joseph Smerdon , Matthias Bode , Nathan Guisinger , Jeffrey Guest

Twelve two-dimensional group-IV monochalcogenide monolayers (SiS, SiSe, SiTe, GeS, GeSe, GeTe, SnS, SnSe, SnTe, PbS, PbSe, and PbTe) with a buckled honeycomb atomistic structure--belonging to symmetry group P3m1--and an out-of-plane…

Materials Science · Physics 2021-02-24 Shiva P. Poudel , Salvador Barraza-Lopez

Single crystals of a Shastry-Sutherland magnetic semiconductor, BaNd2ZnS5, were synthesized through a high-temperature solution growth technique. Physical properties were characterized by powder and single crystal x-ray diffraction,…

Materials Science · Physics 2023-04-13 Brianna R. Billingsley , Madalynn Marshall , Zhixue Shu , Huibo Cao , Tai Kong