Band structure, Fermi surface, Compton profile, and optical conductivity of paramagnetic chromium

Laurent, D. G.; Callaway, Joseph; Fry, J. L.; Brener, N. E.

doi:10.1103/physrevb.23.4977

Cited by 95 publications

(35 citation statements)

References 57 publications

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“…Co shows an intermediate behaviour. This qualitative trend is fairly well reproduced by the LDA calculations (Laurent et al, 1978(Laurent et al, , 1981, although they fail in reproducing the experimental data on a quantitative base: the absolute value of Z~ is systematically a factor of two smaller.…”

Section: R(g)supporting

confidence: 50%

See 1 more Smart Citation

Relevance of Charge-Density Measurements for High-Precision Calculations

Petrillo¹,

Sacchetti²,

Mazzone³

1998

Acta Cryst Sect A

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High-precision photon diffraction data in beryllium, diamond, silicon, copper and germanium are reanalysed with the aim of assessing the accuracy of experimental X-ray and )/-ray structure factors by comparing derived values for cohesive energy with the thermochemical ones. Special attention is devoted to the diffraction data analysis for a meaningful and accurate comparison between theory and experiment. A good overall agreement of local density approximation calculations is found when the electron density exhibits spherical symmetry around each atomic site. On the contrary, the analysis of experimental data in 3d transition metals, namely vanadium, chromium, iron, cobalt and nickel, points out failures of the theory in reproducing the asphericity of the electron distribution.

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Section: R(g)supporting

confidence: 50%

“…A and f~E have little effect on the structure-factor ratio and can be safely neglected. Values of Za were deduced from both the experimental data and the theoretical data (Laurent et al, 1978(Laurent et al, , 1981, applying in the latter case the same analysis procedure. Results are shown in Fig.…”

Section: R(g)mentioning

confidence: 99%

Relevance of Charge-Density Measurements for High-Precision Calculations

Petrillo¹,

Sacchetti²,

Mazzone³

1998

Acta Cryst Sect A

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“…On the other hand, itinerant instabilities have been identified in many incommensurate CDW and SDW materials [11,[19][20][21], and those 2k F systems are often sensitive to athermal tuning parameters such as chemical doping/alloying [6,19,20], impurities [22], and pressure [23,24]. The Fermi surfaces of these 2k F systems at ambient pressure are often calculable with ab initio band structure calculations [6,25,26] and directly measureable through techniques such as ARPES [5,6]. The pressure evolution of the incommensurate ordering wave vectors can be measured directly using diffraction techniques [24,27,28] to reflect features on the Fermi surface [7][8][9][10][19][20][21].…”

Section: Introductionmentioning

confidence: 99%

Direct probe of Fermi surface evolution across a pressure-induced quantum phase transition

et al. 2015

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Abstract:The nature of a material's Fermi surface is crucial to understanding its electronic, magnetic, optical, and thermal characteristics. Traditional measurements such as angle resolved photoemission spectroscopy and, de Haas-van Alphen quantum oscillations can be difficult to perform in the vicinity of a pressure-driven quantum phase transition, although the evolution of the Fermi surface may be tied to the emergence of exotic phenomena. We demonstrate here that magnetic x-ray diffraction in combination with Hall effect measurements in a diamond anvil cell can provide valuable insight into the Fermi surface evolution in spin-and charge-density-wave systems near quantum phase transitions. In particular, we track the gradual evolution of the Fermi surface in elemental chromium and delineate the critical pressure and absence of Fermi surface reconstruction at the spin-flip transition.

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“…The importance of Fermi surface nesting to the itinerant spin density wave ͑SDW͒ magnetic ground state is undisputed. 2,3 However, while the nesting morphology has long been discussed in the theoretical literature ͑see Refs. 4-6 and cited articles͒, there have been few experimental results in support of any particular model.…”

mentioning

confidence: 99%