scholarly journals Wannier States of FCC Symmetry Qualifying Paramagnetic NiO to Be a Mott Insulator

Symmetry ◽  
2020 ◽  
Vol 12 (5) ◽  
pp. 687 ◽  
Author(s):  
Ekkehard Krüger
Keyword(s):  
Ground State ◽  
Energy Band ◽  
Mott Insulator ◽  
Paramagnetic Phase ◽  
Localized States ◽  
Structural Distortion ◽  
Antiferromagnetic Phase ◽  
Antiferromagnetic State ◽  
Compound I ◽  
Wannier Functions

This letter extends my recent paper on antiferromagnetic NiO [Structural Distortion Stabilizing the Antiferromagnetic and Insulating Ground State of NiO, Symmetry 2020, 12(1), 56] by including also the paramagnetic phase of this compound. I report evidence that paramagnetic NiO possesses a narrow, roughly half-filled energy band that produces a nonadiabatic atomic-like motion providing the basis for a Mott insulator in the paramagnetic phase. While the atomic-like motion operating in the antiferromagnetic phase is adapted to the symmetry of the antiferromagnetic state, in the paramagnetic phase, the related localized states are represented by optimally localized Wannier functions possessing the full fcc symmetry of paramagnetic NiO. The nonadiabatic Wannier states are twofold degenerate, have d-like symmetry, and are situated at the Ni atoms.

scholarly journals Structural Distortion Stabilizing the Antiferromagnetic and Insulating Ground State of NiO

Symmetry ◽  
2019 ◽  
Vol 12 (1) ◽  
pp. 56 ◽  
Author(s):  
Ekkehard Krüger
Keyword(s):  
Fermi Level ◽  
Ground State ◽  
Small Deformation ◽  
Structural Distortion ◽  
Inversion Symmetry ◽  
Time Inversion ◽  
Antiferromagnetic Phase ◽  
Antiferromagnetic State ◽  
Space Group ◽  
Perfect Symmetry

We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modifies the symmetry of the crystal in such a way that the antiferromagnetic state becomes an eigenstate of the electronic Hamiltonian. This deformation closely resembles a rhombohedral contraction, but does not possess the perfect symmetry of a trigonal (rhombohedral) space group. We determine the monoclinic base centered magnetic space group of the antiferromagnetic structure within the deformed crystal which is strongly influenced by the time-inversion symmetry of the Hamiltonian. The antiferromagnetic state is evidently stabilized by a nonadiabatic atomic-like motion of the electrons near the Fermi level. This atomic-like motion is characterized by the symmetry of the Bloch functions near the Fermi level and provides in NiO a perfect basis for a Mott insulator in the antiferromagnetic phase.

scholarly journals Ground state and stability of the fractional plateau phase in metallic Shastry–Sutherland system TmB4

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Matúš Orendáč ◽  
Slavomír Gabáni ◽  
Pavol Farkašovský ◽  
Emil Gažo ◽  
Jozef Kačmarčík ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Phase Diagram ◽  
Ground State ◽  
Constant Magnetic Field ◽  
Paramagnetic Phase ◽  
The Other ◽  
Zero Field ◽  
Plateau Phase ◽  
Low Field ◽  
Zero Field Cooling

AbstractWe present a study of the ground state and stability of the fractional plateau phase (FPP) with M/Msat = 1/8 in the metallic Shastry–Sutherland system TmB4. Magnetization (M) measurements show that the FPP states are thermodynamically stable when the sample is cooled in constant magnetic field from the paramagnetic phase to the ordered one at 2 K. On the other hand, after zero-field cooling and subsequent magnetization these states appear to be of dynamic origin. In this case the FPP states are closely associated with the half plateau phase (HPP, M/Msat = ½), mediate the HPP to the low-field antiferromagnetic (AF) phase and depend on the thermodynamic history. Thus, in the same place of the phase diagram both, the stable and the metastable (dynamic) fractional plateau (FP) states, can be observed, depending on the way they are reached. In case of metastable FP states thermodynamic paths are identified that lead to very flat fractional plateaus in the FPP. Moreover, with a further decrease of magnetic field also the low-field AF phase becomes influenced and exhibits a plateau of the order of 1/1000 Msat.

Transition Insulator-Metal and Antiferromagnetic-Paramagnetic Cu Doped in La0.47Ca0.53MnO3

2015 ◽  
Vol 1123 ◽  
pp. 73-77 ◽  
Author(s):  
Yohanes Edi Gunanto ◽  
K. Sinaga ◽  
B. Kurniawan ◽  
S. Poertadji ◽  
H. Tanaka ◽  
...  
Keyword(s):  
High Resolution ◽  
Low Temperature ◽  
Magnetic Structure ◽  
Room Temperature ◽  
Paramagnetic Phase ◽  
Perovskite Manganites ◽  
Antiferromagnetic Phase ◽  
Temperature Transition ◽  
Cu Doping ◽  
Metal State

The study of the perovskite manganites La0.47Ca0.53Mn1-xCuxO3 with x = 0, 0.06, 0.09, and 0.13 has been done. The magnetic structure was determined using high-resolution neutron scattering at room temperature and low temperature. All samples were paramagnetic at room temperature and antiferromagnetic at low temperature. Using the SQUID Quantum Design, the samples showed that the doping of the insulating antiferromagnetic phase La0.47Ca0.53MnO3 with Cu doping resulted in the temperature transition from an insulator to metal state, and an antiferromagnetic to paramagnetic phase. The temperature transition from an insulator to metal state ranged from 23 to 100 K and from 200 to 230 K for the transition from an antiferromagnetic to paramagnetic phase.

scholarly journals Time-reversal symmetry breaking superconducting ground state in the doped Mott insulator on the honeycomb lattice

2013 ◽  
Vol 88 (15) ◽  
Author(s):  
Zheng-Cheng Gu ◽  
Hong-Chen Jiang ◽  
D. N. Sheng ◽  
Hong Yao ◽  
Leon Balents ◽  
...  
Keyword(s):  
Symmetry Breaking ◽  
Ground State ◽  
Time Reversal ◽  
Mott Insulator ◽  
Honeycomb Lattice ◽  
Time Reversal Symmetry ◽  
Doped Mott Insulator

Effect of Biquadratic Exchange on Two Magnon States of Heisenberg Ferromagnets: Other Neighbor Exchange

1975 ◽  
Vol 53 (6) ◽  
pp. 637-647 ◽  
Author(s):  
D. A. Pink ◽  
Vijay Sachdeva
Keyword(s):  
Ground State ◽  
Nearest Neighbor ◽  
Ferromagnetic State ◽  
Localized States ◽  
Heisenberg Ferromagnet ◽  
Green Functions ◽  
Localized Modes ◽  
One Dimensional ◽  
Localized State ◽  
Biquadratic Exchange

We have investigated the two magnon localized states of a one dimensional Heisenberg ferromagnet the Hamiltonian of which is made up of nearest neighbor and next nearest neighbor isotropic bilinear and biquadratic exchange terms, and a single ion anisotropy term. We have restricted our choice of parameters so that the ground state at T = 0 is the fully aligned ferromagnetic state and we have used the thermodynamic Green functions where the averages have been evaluated in the ground state so that our results are good for [Formula: see text]. We have evaluated the probabilities of finding two spin deviations a distance n apart when the system is in a localized state described by total wave vector q. We have (a) compared the effects of ferromagnetic and antiferromagnetic next nearest neighbor exchange, (b) found that localized modes can lie below or above the two free magnon band depending upon the sign and magnitude of the biquadratic exchange, (c) found that in certain cases two spin deviations appear to behave like objects interacting only via a soft core, and (d) found that modes can have a large single ion component when the single ion anisotropy is zero.

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