Low-temperature NMR studies of SrB6

Gavilano, J. L.; Ambrosini, B.; Ott, H. R.; Young, David P.; Fisk, Z.

doi:10.1016/s0921-4526(99)01197-7

Cited by 9 publications

(3 citation statements)

References 4 publications

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“…Another class of hexaborides, MB 6 , formed by divalent metals, is worthy of attention. This category comprises divalent metals such as Ca, Sr, and Ba, which are considered to be small-gap semiconductors [ 3 , 4 , 5 , 6 ]. Additionally, the rectangular boron units in CrB 4 and MnB 4 provide exceptional mechanical properties, such as high stiffness and ideal strength [ 7 ].…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of the Magnetic and Electronic Structure of NdB4

Tao

et al. 2023

Materials

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Due to their magnetic and physical properties, rare earth magnetic borides have been applied to a variety of critical technologies. In particular, rare earth tetraborides are more abundant as frustrated antiferromagnets. Here, the atomic structures, magnetic structures, and electronic structures of NdB4 have been studied by first-principle calculations. The ground state magnetic structure of NdB4 is determined. Moreover, the small energy difference between different magnetic structures means that there may be more than one magnetic structure that coexist. One can glean from the electronic structure of the magnetic ground state that the d orbital of Nd is strongly hybridized with the p orbital of B, and the f electron of Nd is highly localized. The computational results reveal the complexity of the magnetic structure and provide a theoretical basis for studying the magnetic ground state of NdB4.

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Section: Introductionmentioning

confidence: 99%

First-Principles Study of the Magnetic and Electronic Structure of NdB4

Tao

et al. 2023

Materials

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“…This class includes the divalent metals ͑M =Ca,Sr,Ba͒ that are small gap semiconductors. [3][4][5][6][7][8][9][10][11][12] The stability of this structure was understood decades ago, when cluster studies established 3,4 that the bonding states of linked B 6 clusters are filled by 20 electrons, which requires two per B 6 unit in addition to the B valence electrons. There are many trivalent hexaborides as well, including lanthanide members which have very peculiar properties: unusual magnetic ordering, heavy fermion formation, and superconductivity.…”

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confidence: 99%

Rare-earth–boron bonding and 4f state trends inRB4tetraborides

Yin¹,

Pickett²

2008

Phys. Rev. B

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The B-B bonding, boron-rare earth coupling, and the changes in 4f states across the lanthanide series in RB 4 ͑R = rare earth͒ compounds are studied using the correlated band theory LDA+ U method. A set of boron bonding bands that are well separated from the antibonding bands can be identified. Separately, the "dimer B" 2p z orbital is nonbonding ͑viz., graphite and MgB 2 ͒, but mixes strongly with the metal 4d or 5d states that form the conduction states. The bonding bands are not entirely filled even for the trivalent compounds ͑thus the cation d bands have some filling͒, which accounts for the lack of stability of this structure when the cations are divalent ͑with more bonding states unfilled͒. The trends in the mean 4f level for both majority and minority, and occupied and unoccupied, states are presented and interpreted.

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“…This class includes the divalent metals (M=Ca, Sr, Ba) that are small gap semiconductors. 3,4,5,6,7,8,9,10,11,12 The stability of this structure was understood decades ago, when cluster studies established 3,4 that the bonding states of linked B 6 clusters are filled by 20 electrons, which requires two per B 6 unit in addition to the B valence electrons. There are many trivalent hexaborides as well, including lanthanide members which have very peculiar properties: unusual magnetic ordering, heavy fermion formation, and superconductivity.…”

mentioning

confidence: 99%

Rare-Earth Tetraborides RB$_4$: Analysis of Trends in the Electronic Structure

Yin,

Pickett

2007

Preprint

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Both the basic electronic structure of tetraborides, and the changes across the lanthanide series in RB4 (R = rare earth) compounds, are studied using the correlated band theory LDA+U method in the all-electron Full Potential Local Orbital (FPLO) code. A set of boron bonding bands can be identified that are well separated from the antibonding bands. Separately, the "dimer B" 2pz orbital is non-bonding (viz. graphite and MgB2), and mixes strongly with the metal 4d or 5d states that form the conduction states. The bonding bands are not entirely filled even for the trivalent compounds (thus the cation d bands have some filling), which accounts for the lack of stability of this structure when the cations are divalent (with more bonding states unfilled). The trends in the mean 4f level for both majority and minority, and occupied and unoccupied, states are presented and interpreted. I. BACKGROUND AND MOTIVATION

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Low-temperature NMR studies of SrB6

Cited by 9 publications

References 4 publications

First-Principles Study of the Magnetic and Electronic Structure of NdB4

First-Principles Study of the Magnetic and Electronic Structure of NdB4

Rare-earth–boron bonding and 4f state trends inRB4tetraborides

Rare-Earth Tetraborides RB$_4$: Analysis of Trends in the Electronic Structure

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