Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>CeB</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Barman, Chanchal K.; Singh, Prashant; Johnson, Duane D.; Alam, Aftab

doi:10.1103/physrevlett.122.076401

Cited by 19 publications

(9 citation statements)

References 65 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We conclude that x = x<001> (U = 3 eV) = 0.1992 ± 0.0003 and U = 3.0 ± 0.6 eV. This is in agreement with Sato (x = 0.19923 ± 0.00006) [74], Blomberg et al (x = 0.1992 ± 0.0001) [76] and Streltsov et al (x = 0.1995 ± 0.0003) [77] for x, whilst our refined value of U agrees with the study of Barman et al [86].…”

supporting

confidence: 93%

Measuring Density Functional Parameters from Electron Diffraction Patterns

Peng,

Nakashima

2020

Preprint

View full text Add to dashboard Cite

We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density which, in real materials, gives rise to the experimental CBED patterns used by QCBED-DFT to refine DFT model parameters. We used it to measure the Hubbard energy, U , for two strongly correlated electron systems, NiO and CeB6 (UNiO = 7.4 ± 0.6 eV and UCeB 6 = 3.0 ± 0.6 eV), and the boron position parameter, x, for CeB6 (x = 0.1992 ± 0.0003). In verifying our measurements, we demonstrate an accuracy test for any modelled electron density.

show abstract

supporting

confidence: 93%

Measuring Density Functional Parameters from Electron Diffraction Patterns

Peng,

Nakashima

2020

Preprint

View full text Add to dashboard Cite

show abstract

“…CeB 6 is considered as a Kondo system. CeB 6 presents an antiferro-quadrupolar ordering in the paramagnetic phase between T q = 3.3 K (quadrupolar ordering temperature) and T N = 2.4 K (Neel’s Temperature) [ 9 , 10 ]. PrB 6 has been confirmed that negative quadrupolar pair interactions exist in the paramagnetic phase (T N = 6.9 K) [ 11 ].…”

Section: Introductionmentioning

confidence: 99%

Topological Phase and Strong Correlation in Rare-Earth Hexaborides XB6 (X = La, Ce, Pr, Nd, Pm, Sm, Eu)

Hung

Jeng

2020

Materials

View full text Add to dashboard Cite

The rare-earth hexaboride SmB6, known as the topological Kondo insulator, has attracted tremendous attention in recent years. It was revealed that the topological phase of SmB6 is insensitive to the value of on-site Coulomb interactions (Hubbard U), indicating that the topological phase in SmB6 is robust against strong correlations. On the contrary, the isostructural YbB6 displays a sensitivity to the Hubbard U value. As U increases, YbB6 transforms from topological Kondo insulator to trivial insulator, showing the weak robustness of the topological phase of YbB6 against U. Consequently, the dependence of the topological phase on Hubbard U is a crucial issue in the rare-earth hexaboride family. In this work, we investigate the structural and electronic properties of rare-earth hexaboride compounds through first-principles calculations based on density functional theory. By taking the strong correlations into consideration using a wide range of on-site U values, we study the evolution of the topological phases in rare-earth hexaboride (XB6, X = La, Ce, Pr, Nd, Pm, Sm, Eu). Unlike YbB6, the topological trends in all the examples of XB6 studied in this work are insensitive to the U values. We conclude that in addition to the well-known SmB6, PmB6, NdB6 and EuB6 are also topologically nontrivial compounds, whereas LaB6, CeB6 and PrB6 are topologically trivial metal.

show abstract

“…CeB 6 has been known as a typical and remarkable compound exhibiting a rich phase diagram of the multipole orderings [1][2][3][4] and extensively studied experimentally and theoretically. [32][33][34][35][36][37][38][39][40][41] Due to the large spin-orbit coupling (SOC) and the cubic crystalline electric field (CEF), the ground state of 4 f 1 in Ce 3+ ion is the Γ 8 quartet separated from the excited Γ 7 doublet by 540 K, 8) and has a inherently the degrees of freedom of 15 active multipole moments as shown in Table I.…”

Section: Introductionmentioning

confidence: 99%

Derivation of RKKY Interaction between Multipole Moments in CeB₆ by the Effective Wannier Model Based on the Bandstructure Calculation

Yamada

Hanzawa

2019

J. Phys. Soc. Jpn.

View full text Add to dashboard Cite

We have investigated the electronic states of CeB 6 and have directly calculated the RKKY interaction on the basis of the 74-orbital effective Wannier model which includes 14 Cef orbitals and 60 conduction (c) orbitals of Ce-d, s and B-p, s derived from the density-functional theory bandstructure calculation. By using not only the c-band dispersion but also the f -c mixing matrix elements of the Wannier model, the realistic couplings for all 15 active multipole moments in Γ 8 quartet subspace are obtained in the wavevector q-space and real-space. Both of the Γ 5g quadrupoles (O yz , O zx , O xy ) and the Γ 2u octupole T xyz couplings are maximally enhanced with q = (π, π, π) which naturally explains the phase II of the antiferro-quadrupolar ordering at T Q = 3.2 K, and are also enhanced with q = (0, 0, 0) corresponding to the elastic softening of C 44 . Also the couplings of the Γ 5u octupoles T β x , T β y and T β z are quite large for q = (π, 0, 0), (0, π, 0) and (0, 0, π), which yields the antiferro-octupolar ordering of a possible candidate for phase IV of Ce x La 1−x B 6 . The intersite vector dependence of the RKKY couplings exhibit different long-range, oscillating, isotropic and anisotropic behaviors depending on the types of the multipole moments. The present approach enables us to provide the information about the possible multipole ordering in an unbiased way and is easily available for other localized f electron materials once the c states and f -c mixing elements are given from the bandstructure calculation. 1 arXiv:1904.06469v3 [cond-mat.str-el]

show abstract

Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6

Cited by 19 publications

References 65 publications

Measuring Density Functional Parameters from Electron Diffraction Patterns

Measuring Density Functional Parameters from Electron Diffraction Patterns

Topological Phase and Strong Correlation in Rare-Earth Hexaborides XB6 (X = La, Ce, Pr, Nd, Pm, Sm, Eu)

Derivation of RKKY Interaction between Multipole Moments in CeB₆ by the Effective Wannier Model Based on the Bandstructure Calculation

Contact Info

Product

Resources

About

Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6

Cited by 19 publications

References 65 publications

Measuring Density Functional Parameters from Electron Diffraction Patterns

Measuring Density Functional Parameters from Electron Diffraction Patterns

Topological Phase and Strong Correlation in Rare-Earth Hexaborides XB6 (X = La, Ce, Pr, Nd, Pm, Sm, Eu)

Derivation of RKKY Interaction between Multipole Moments in CeB6 by the Effective Wannier Model Based on the Bandstructure Calculation

Contact Info

Product

Resources

About

Derivation of RKKY Interaction between Multipole Moments in CeB₆ by the Effective Wannier Model Based on the Bandstructure Calculation