000132294 001__ 132294
000132294 005__ 20260217205507.0
000132294 0247_ $$2doi$$a10.1103/PhysRevB.109.024111
000132294 0248_ $$2sideral$$a137488
000132294 037__ $$aART-2024-137488
000132294 041__ $$aeng
000132294 100__ $$0(orcid)0000-0002-9706-3272$$aBlasco, J.
000132294 245__ $$aThree charge-ordered phases in bilayered Pr ( Sr 0.1 Ca 0.9 ) 2 Mn 2 O 7 : From antiferrodistortive to ferrodistortive structures
000132294 260__ $$c2024
000132294 5060_ $$aAccess copy available to the general public$$fUnrestricted
000132294 5203_ $$aThe structural phase transitions of Pr(Sr0.1Ca0.9)2Mn2O7 have been studied by synchrotron radiation x-ray powder diffraction. Three different charge order (CO) phases are identified as a function of temperature. The three phases have a checkerboard arrangement of compressed and expanded MnO6 octahedra in the perovskite bilayers. The structural changes associated with each transition are described in terms of the mode decomposition analysis with respect to the parent tetragonal structure. The high-temperature phase exhibits an orthorhombic symmetry (Amam) due to cooperative tilts of the MnO6 octahedra that can be ascribed to the irreducible representation (irrep) X3−. On cooling, the CO1 phase with Pbnm symmetry arises from the condensation of modes belonging to the irrep DT2 together with breathing (X1+) and antiferrodistortive (M5− and Y2) modes. The Mn site is split into two nonequivalent Mn atoms (Mn1 and Mn2) with a small charge segregation, and the asymmetric environment of Mn1 atoms form zigzag chains along the doubled b axis. Further cooling leads to the formation of the CO2 phase that comes from a relative change between the directions of previous X3− and DT2 distortions, producing the simultaneous condensation of new DT1 and ferrodistortive GM5−modes. In the CO2 structure (Am2m symmetry), Mn2 atoms are split into two nonequivalent sites but with similar oxidation states. Then the checkerboard arrangement between Mn1 and Mn2 atoms is preserved but with a reorientation of the zigzag chains along the a axis. At lower temperatures, the CO3 phase arises from a new direction change of irrep X3−, leading to the simultaneous condensation of new secondary modes. Its symmetry is Pn21m, and the Mn1 site is now split, which leads to a total of four nonequivalent Mn sites in the unit cell. In this phase, more tilts of the Mn O6 octahedra are allowed following the a−b−c+ tilt schema.
000132294 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FSE/E12-23R-RASMIA$$9info:eu-repo/grantAgreement/ES/MICINN/CEX2019-000917-S$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-124734OB-C21$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-124734OB-C22
000132294 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000132294 590__ $$a3.7$$b2024
000132294 592__ $$a1.303$$b2024
000132294 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b208 / 461 = 0.451$$c2024$$dQ2$$eT2
000132294 591__ $$aPHYSICS, CONDENSED MATTER$$b30 / 80 = 0.375$$c2024$$dQ2$$eT2
000132294 591__ $$aPHYSICS, APPLIED$$b66 / 187 = 0.353$$c2024$$dQ2$$eT2
000132294 593__ $$aElectronic, Optical and Magnetic Materials$$c2024$$dQ1
000132294 593__ $$aCondensed Matter Physics$$c2024$$dQ1
000132294 594__ $$a6.2$$b2024
000132294 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000132294 700__ $$0(orcid)0000-0002-8021-8709$$aCuartero, V.$$uUniversidad de Zaragoza
000132294 700__ $$0(orcid)0000-0001-8303-932X$$aLafuerza, S.
000132294 700__ $$aGarcía-Muñoz, J. L.
000132294 700__ $$aFauth, F.
000132294 700__ $$0(orcid)0000-0002-9029-1977$$aSubías, G.
000132294 7102_ $$15001$$2065$$aUniversidad de Zaragoza$$bDpto. Ciencia Tecnol.Mater.Fl.$$cÁrea Cienc.Mater. Ingen.Metal.
000132294 773__ $$g109, 2 (2024), 024111 [13 pp.]$$pPhys. Rev. B$$tPhysical Review B$$x2469-9950
000132294 8564_ $$s3647497$$uhttps://zaguan.unizar.es/record/132294/files/texto_completo.pdf$$yPostprint
000132294 8564_ $$s945766$$uhttps://zaguan.unizar.es/record/132294/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000132294 909CO $$ooai:zaguan.unizar.es:132294$$particulos$$pdriver
000132294 951__ $$a2026-02-17-20:23:49
000132294 980__ $$aARTICLE