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Entanglement of spin and orbital degrees of freedom, via relativistic spin-orbit coupling, in 4$d$ transition metal oxides can give rise to a variety of novel quantum phases. A previous study of mixed 3$d$-4$d$ quasi-1D spin-chain oxide…

Strongly Correlated Electrons · Physics 2025-02-10 A. Jain , D. T. Adroja , S. Rayaprol , A. D. Hillier , W. Kockelmann , S. M. Yusuf , E. V. Sampathkumaran

We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…

Materials Science · Physics 2008-09-08 Xingtao Jia , Wei Yang , Minghui Qin , Xinglai Zhang , Mingai Sun , Jianping Li

The apparent contradiction between the recently observed weak charge disproportion and the traditional Mn$^{3+}$/Mn$^{4+}$ picture of the charge-orbital orders in half-doped manganites is resolved by a novel Wannier states analysis of the…

Strongly Correlated Electrons · Physics 2015-05-13 Dmitri Volja , Wei-Guo Yin , Wei Ku

We have studied the magnetoresistance (TMR) of tunnel junctions with electrodes of La2/3Sr1/3MnO3 and we show how the variation of the conductance and TMR with the bias voltage can be exploited to obtain a precise information on the spin…

Materials Science · Physics 2016-08-16 M. Bowen , A. Barthélémy , M. Bibes , E. Jacquet , J. -P. Contour , A. Fert , F. Ciccacci , L. Dùo , R. Bertacco

The experimental Mn K-edge x-ray absorption spectra of La$_{1-x}$Sr$_x$MnO$_{3}$, $x$ = 0 - 0.7 are compared with the band structure calculations using spin polarized density functional theory. It is explicitly shown that there is a…

Strongly Correlated Electrons · Physics 2007-09-03 S. K. Pandey , R. Bindu , Ashwani Kumar , S. Khalid , A. V. Pimpale

We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…

Materials Science · Physics 2009-09-10 Abdesalem Houari , Samir. F. Matar , Mohamed A. Belkhir

Neutron spectroscopy measurements reveal short-range spin correlations near and above the ferromagnetic-paramagnetic phase transition in manganite materials of the form La$_{1-x}A_{x}$MnO$_{3}$, including samples with an insulating ground…

We present resonant soft X-ray scattering (RSXS) results from small band width manganites (Pr,Ca)MnO$_3$, which show that the CE-type spin ordering (SO) at the phase boundary is stabilized only below the canted antiferromagnetic transition…

The ground state of half-doped manganites involves intricate spin, charge and orbital orderings, which are difficult to discern experimentally. In this work, we resort to the theoretical analysis of the spin fluctuation spectrum of the…

Strongly Correlated Electrons · Physics 2018-05-22 Ivon R Buitrago , Cecilia I. Ventura , Luis O. Manuel

The quest for topological states in strongly correlated materials is challenging but essential from fundamental research and application perspectives. The magnetic Weyl semimetal (WSM) state in the chiral antiferromagnet Mn$_3$Sn emerges…

Strongly Correlated Electrons · Physics 2022-04-05 Shunichiro Kurosawa , Takahiro Tomita , Ikhlas Muhammad , Mingxuan Fu , Akito Sakai , Satoru Nakatsuji

X-ray absorption fine structure measurements of the Sr and La K edges of the solid solution La(1-x)Sr(x)MnO(3) reveal a consistent deviation from a random distribution of Sr at the La/Sr sites for x~0.3. Local structural disorder on the…

Materials Science · Physics 2009-11-07 Tomohiro Shibata , Bruce Bunker , John Mitchell , Peter Schiffer

We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase)…

Materials Science · Physics 2009-11-13 Yohei Kota , Hiroki Tsuchiura , Akimasa Sakuma

Coupling between different interactions allows to control physical aspects in multifunctional materials by perturbing any of the degrees of freedom. Here, we aim to probe the correlation among structural, electronic and magnetic observables…

Materials Science · Physics 2025-07-28 S. Majumder , M. Tripathi , D. O. de Souza , A. Sagdeo , L. Olivi , M. N. Singh , S. Pal , R. J. Choudhary , D. M. Phase

Structural investigation on $Co_{3-x}Mn_xTeO_6$; ($0 \lt x \le 2$) solid solutions as a function of Mn concentration using Synchrotron X-ray diffraction (SXRD) and XANES measurements are presented. Phase diagram obtained from Rietveld…

Materials Science · Physics 2014-04-08 Harishchandra Singh , A. K. Sinha , Haranath Ghosh , M. N. Singh , Parasmani Rajput

We have explored spin, charge and orbitally ordered states in La1-xSrxMnO3 (0 < x < 1/2) using model Hartree-Fock calculations on d-p-type lattice models. At x=1/8, several charge and orbitally modulated states are found to be stable and…

Strongly Correlated Electrons · Physics 2009-10-31 T. Mizokawa , D. I. Khomskii , G. A. Sawatzky

A series of manganites Tb1-xHoxMnO3 (0<=x<=0.6) with orthorhombic structure are synthesized and detailed investigations on their multiferroicity are performed. Successive magnetic transitions upon temperature variation are evidenced for all…

Strongly Correlated Electrons · Physics 2010-04-19 C. L. Lu , S. Dong , K. F. Wang , J. -M. Liu

A clear physics picture of TbBaCo$_{2}$O$_{5.5}$ is revealed on the basis of density functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin Co$^{3+}$ ions competes with a ferromagnetic…

Materials Science · Physics 2009-11-07 Hua Wu

The magnetic phases of electron-doped infinite-layer Sr$_{1-x}$La$_x$CuO$_2$ are elucidated by first-principles density functional calculations. The antiferromagnetic parent state, metallic transition, as well as lattice evolution with…

Superconductivity · Physics 2024-12-10 Alpin N. Tatan , Jun Haruyama , Osamu Sugino

A new minimal model is constructed for the doped manganese oxides which exhibit colossal magnetoresistance (CMR), involving broad spin-majority conduction band as well as nearly localised spin-minority electron states. A simple mean field…

Strongly Correlated Electrons · Physics 2010-05-25 D. I. Golosov

We report a study of magnetic, thermal, and transport properties of La(3+) substituted Sr2RuO4, performed in order to investigate the effects of additional electron doping in this correlated metal. A gradual enhancement of the electronic…

Strongly Correlated Electrons · Physics 2007-05-23 N. Kikugawa , C. Bergemann , A. P. Mackenzie , Y. Maeno