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The compound can be doped on Ca site and Mn site due to its ABO3 typed perovskite structure.
Since all compounds exhibit magnetic properties, the spin polarized calculations were conducted, and as the result, the band structure split into spin up and spin down band structures.
A code for calculating band-structure dependent quantities, Comput.
Zhang, Electrical transport properties of CaMnO3 thermoelectric compound: a theoretical study, Journal of Physics and Chemistry of Solids 74 (2013) 1859–1864
Parker, Crystal Structure and Thermoelectric Properties of Sr-Mo Substituted CaMnO3: A Combined Experimental and Computational Study, J.

Magnetism and Mechanical Properties of Mn1.28Fe0.67P0.48Si0.52 / Cu Composites Ojiyed Hamt1,a, Oimod Hascholu1,b, Ojiyed Tegus1,c* 1Inner Mongolia Key Laboratory for Physics and Chemistry of Functional Materials, School of Physics and Electronic Information, Inner Mongolia Normal University, Hohhot 010022, People’s Republic of China ahamtu@imnu.edu.cn, bhscl5@imnu.edu.cn, ctegusph@imnu.edu.cn Keywords: magnetic refrigeration; magnetocaloric effect; Curie temperature; mechanical stability Abstract.
This paper reports the effect of Cu doping on phase structure, magnetocaloric effect and mechanical properties of the first-order phase transition material Mn1.28Fe0.67P0.48Si0.52.
The phase structure of the composites was characterized by using X-ray diffraction at room temperature.
The surface structure of the composite was observed by scanning electron microscopy (SEM, HitachiS-3400N).
Structure, magnetism and magnetocaloric properties of MnFeP1-xSix [J].

A model of the interphase structure of (a) PI-GO films and PI-ODA-GO films (from ref. 67).
Ozin, Materials Chemistry for low-k materials, Materials Today 9 (2006) 22-31
Chenet, Plasma Treatment Effects on Molecular Structures at Dense and Porous Low‑k SiCOH Film Surfaces and Buried Interfaces, The Journal of Physical Chemistry C 119 (2015) 22514-22526
Ruoff, The chemistry of graphene oxide, Chem.
Smirani, Synthesis, crystal structure, physico-chemical characterization and dielectric properties of a new hybrid material, 1-Ethylpiperazine-1, 4-diium tetrachlorocadmate, J. of Molecular Structure 1102 (2015) 50

Zabolotskaya1, f 1 Institute of Solid State Chemistry, Urals Div., Russ.
Compounds with the olivine-type structures are considered as perspective materials for lithium-ion power sources for both industrial and transport applications.
The anion sublattice doping seems to be much more effective, considering features of electronic structure of LiMnPO4 [13].
Structure.
All synthesized samples have orthorhombic crystal structure with the space group Pnma described previously [16].

Medrea 1, b , I Chicinas3, c 1 Technological Educational Institute of Piraeus, Department of Physics, Chemistry and Materials Technology , Athens, Greece 2 G.B.
The fracture surfaces, some cracks, and the structure that was not affected by the failure, were investigated by optical microscopy.
It is chromium-molybdenum-vanadium-alloyed steel and by special processing techniques and close control, it can attain high purity and a very fine structure [17].
Black areas appear to separate the white layer from the rest of the structure.
Towards the inner part of the die, the structure is characteristically fine grained, with restored martensite and carbides, which are uniformly distributed (Fig 7, b).

The structure and morphology of the electrodes were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM).
Experimental Section Preparation of the CNTs electrode In order to obtain CNTs with acidic sites on the surface, 0.800 g of CNTs (MWCNTs, purchased from Organic Chemistry institute of Chengdu) was refluxed in 60 mL of (97%) concentrated nitric acid for 6 h.
Structure and Morphology Analysis The structure of the composite electrode was determined by powder X-ray diffraction (XRD, Japan S/Max-3B) from 20° to 80°with a Cu Kα radiation.
It can be seen that Co3O4 distributes on the Ni foam surface in the form of lamellar structure, with a little conglobation.
As shown in Fig.2(d) , the obtained Co3O4/CNTs composite electrode, has Co3O4 coated on the surface of CNTs in the form of lamellar structure, which offers larger surface area, to facilitate electrolyte ion’s entry and emigration; in the meantime, CNTs is equipped with sound electro conductivity, and capable of enhancing electric conductivity of composite electrode.

As the analysis of the results from the each-stages lignin by IR-FT, the structure of lignin had no significant difference .
Analysis the structures of lignin by infrared spectrum: Firstly dried all stage lignin at room temperature, then continue dried them under 60 ℃ in the vacuum drying oven 24 h, finally make tablet with a certain amount lignin and KBr, analysis the structures of lignin by infrared spectrum.
As can be seen from the figure 3 and table 3, the IR - FT diagrams of lignin from each stage waste liquid have little difference, lignin in each stage still preserve the typical characteristics of lignin structure, which almost has no difference in structure.
The structure of lignin extracted from different stages’ counter-current cooking waste liquid have no obvious change.
Journal of wood chemistry and technology .1996,16(4): 367

The ZnO nanorods, predominantly grew with good crystallinity along c-axis, exhibit wurtzite structure with smooth surface.
These characteristics reflect that ZnO can be a more suitable semiconductor for the fast electron transport, through the application of a 1-D structure [3].
Obviously, the TiO2/ZNR samples exhibit significant diffraction peaks at 31.9°(100), 34.4°(002), and 36.4°(101) (JCPDS #89-1397) (Fig. 3), indicating a wurtzite structure of ZnO.
XRD patterns indicates a hexagonal wurtzite structure for ZNR and a (100) preferential crystal plane after etching.
Ramakrishna, Journal of Physical Chemistry C 113 (2009) 21538

Because of distinctive properties, such as dendritic structure, high green strength, and low oxygen content, electrolytic copper powder has been widely used in aviation, aerospace, national defense industry and other domains.
The morphology and crystal structure of copper powders was examined by SEM (JEOL, JSM6700F).
The results in Figure 4 also indicated that the morphology and crystal structure of copper powders were unchanged when paralleled flow was employed.
Journal of Electroanalytical Chemistry, 2008, 621(1):13-21
The effect of the particle shape and structure on the flowability of electrolytic copper powder.

Van Driessche1,c 1 Ghent University, Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent, a Klaartje.DeBuysser@UGent.be, b Serge.Hoste@UGent.be, cIsabel.VanDriessche@UGent.be Keywords: Ceramics, Sol-gel, Negative Thermal Expansion, Composites, ZrW2O8.
This phase transition induces a change in crystal structure from the cubic alpha-phase (P213) with α = -9 10 -6 K -1 to the cubic beta-phase (Pa-3) with α = -3 10-6 K -1 [3].
An open network of corner shared polyhedra is present within the ZrW2O8 crystal structure.
After preparation of the gels, a thermal treatment is necessary to transform the three-dimensional gel structures into the negative expansion material ZrW2O8.
The decomposition is coupled with gas production which leads to a spongy structure and fine oxide particles.