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The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid solutions is predicted by a comprehensive evaluation of the lattice spacing, mixing thermodynamics, and elastic properties using first-principles calculations and…

Materials Science · Physics 2015-07-13 Liangcai Zhou , Fedor Klimashin , David Holec , Paul H. Mayrhofer

The delicate balance between spin-orbit coupling, Coulomb repulsion and crystalline electric field interactions observed in Ir-based oxides is usually manifested as exotic magnetic behavior. Here we investigate the evolution of the exchange…

The properties of Ni-doped strontium titanate are studied using X-ray diffraction and XAFS spectroscopy. It is shown that regardless of the preparation conditions, the SrTi1-xNixO3 solid solution and the NiTiO3 phase are the most stable…

Materials Science · Physics 2014-05-13 Irina A. Sluchinskaya , Alexander I. Lebedev , Alexei Erko

In the isostructural oxides Ca3CoMO6 (M = Co, Rh, Ir), the CoMO6 chains made up of face-sharing CoO6 trigonal prisms and MO6 octahedra are separated by Ca atoms. We analyzed the magnetic and electronic properties of these oxides on the…

Strongly Correlated Electrons · Physics 2011-01-05 Yuemei Zhang , Erjun Kan , Hongjun Xiang , Antoine Villesuzanne , Myung-Hwan Whangbo

Recently, a first successful synthesis of the unknown bulk manganese monocarbide (MnC) has been reported. Suggested as a potential superhard material, the compound is found to crystallize in the zincblende (B3) structure. In the present…

Materials Science · Physics 2026-05-05 Abdesalem Houari , Peter Bloechl

We report the structural, magnetic, transport and electronic properties of Nb substituted LaCo$_{1-x}$Nb$_x$O$_3$ ($x =$ 0--0.2). The Rietveld analysis of x-ray diffraction data demonstrate structural phase transitions from rhombohedral to…

Strongly Correlated Electrons · Physics 2018-02-14 Rishabh Shukla , R. S. Dhaka

Layered Li(Ni,Mn,Co,)O$_2$ (NMC) presents an intriguing ternary alloy design space for optimization as a cathode material in Li-ion batteries. Recently, the high cost and resource limitations of Co have added a new design constraint and…

Materials Science · Physics 2020-02-17 Gregory Houchins , Venkatasubramanian Viswanathan

We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NPD) measurements. This compound stabilizes in the monoclinic…

Materials Science · Physics 2016-09-12 M. R. Ashwin Kishore , H. Okamoto , Lokanath Patra , R. Vidya , Anja O. Sjastad , H. Fjellvag , P. Ravindran

The magnetic and structural properties of polycrystalline Co$_{4-x}$ Ni$_x$ Nb$_2$ O$_9$ (x=1,2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT)…

The recent experimental realization of two-dimensional (2D) transition metal nitrides (TMNs, e.g., Mo5N6, {\delta}-MoN, and W5N6) opens new opportunities for exploring their fundamental physical properties at the two-dimensional limit. In…

The binary Re$_{1-x}$Mo$_x$ alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity,…

Superconductivity · Physics 2019-02-08 T. Shang , D. J. Gawryluk , J. A. T. Verezhak , E. Pomjakushina , M. Shi , M. Medarde , J. Mesot , T. Shiroka

The existence of exchange-coupled Ni$^{2+}$ ions -- the so-called magnetic dimers -- in wolframite-type NiWO$_4$ and Zn$_c$Ni$_{1-c}$WO$_4$ solid solutions with high nickel content was discovered by X-ray absorption spectroscopy combined…

Materials Science · Physics 2021-08-09 G. Bakradze , A. Kalinko , A. Kuzmin

Manganese-doped tin telluride, Sn(1-x)Mn(x)Te, initially investigated as diluted magnetic semiconductor, has recently attracted considerable attention as a prospective thermoelectric material. The introduction of Mn was found to modify the…

Materials Science · Physics 2026-01-09 Elzbieta Guziewicz , Bronislaw A. Orlowski , Bogdan J. Kowalski

The solid solution Cs2-xRbxSnCu3F12 (x = 0, 0.5, 1.0, 1.5) has been investigated crystallographically between 100 and 300 K using synchrotron X-ray powder diffraction and, in the case of x = 0, neutron powder diffraction.

Systematic powder diffraction studies have been carried out to establish the magnetic phase diagram of La_{2-2x}Sr_{1+2x}Mn_2O_7 (LSMO327) in a wide hall concentration range ($0.30 \leq x \leq 0.50$), using the HERMES diffractometer.…

Strongly Correlated Electrons · Physics 2009-10-31 M. Kubota , H. Fujioka , K. Ohoyama , K. Hirota , Y. Moritomo , H. Yoshizawa , Y. Endoh

A detailed study of poly-[Ni(Salen)] polymer in its oxidized (Ox) and reduced (Red) states was conducted using X-ray photoelectron (XPS) and ultraviolet photoemission (UV PES) spectroscopy, near-edge X-ray absorption fine structure (NEXAFS)…

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

The effect of Mg-substitution on the crystal structure of wurtzite ZnO is presented based on synchrotron X-ray diffraction studies of polycrystalline Zn1-xMgxO (0 <= x <= 0.15). Increase in Mg concentration results in pronounced c-axis…

Materials Science · Physics 2007-05-23 Young-Il Kim , Katharine Page , Ram Seshadri

X-Ray diffraction, ac susceptibility and electrical resistivity measurements were performed in order to investigate the effect of Ag substitution for Pr in the polycrystalline Pr$_{1-x}$Ag$_x$MnO$_3$ (0.0$\leq$x$\leq$0.25) manganites. The…

Strongly Correlated Electrons · Physics 2009-08-27 Hossein Ahmadvand , Hadi Salamati , Parviz Kameli

We investigate the interplay of the electronic and structural transition in La$_{0.2}$Sr$_{0.8}$MnO$_{3}$. The transport and specific heat measurements exhibit unusual evolutions and signature of a first order phase transition around 265 K.…

Strongly Correlated Electrons · Physics 2009-11-13 R. Bindu , Kalobaran Maiti , R. Rawat , S. Khalid