1974
DOI: 10.1002/pssb.2220630102
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Effects of Pressure on the Electronic Structure of Transition d‐Metals

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1978
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Cited by 39 publications
(4 citation statements)
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“…1-5 These observations presented a remarkable experimental support to the theoretical ideas based on the electronic band-structure calculations for the transition metals and the calculated dependence of the electronic properties on pressure or the atomic volume. [6][7][8][9] The most important result of these calculations is the observation that the relatively narrow d-band moves with respect to the bottom of the broad sp-band when the atomic volume is varied. 6,7 This shift of the d-band results in a change of the d-band occupancy under pressure and provides the main contribution to the pressure dependence of the electronic properties of the metals ͑see review Ref.…”
Section: Introductionmentioning
confidence: 97%
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“…1-5 These observations presented a remarkable experimental support to the theoretical ideas based on the electronic band-structure calculations for the transition metals and the calculated dependence of the electronic properties on pressure or the atomic volume. [6][7][8][9] The most important result of these calculations is the observation that the relatively narrow d-band moves with respect to the bottom of the broad sp-band when the atomic volume is varied. 6,7 This shift of the d-band results in a change of the d-band occupancy under pressure and provides the main contribution to the pressure dependence of the electronic properties of the metals ͑see review Ref.…”
Section: Introductionmentioning
confidence: 97%
“…13,20,21 The analogy between Zr and the group V metals is fraught with interesting consequences for the Zr-based alloys because alloying is a well-known means for varying the electron concentration. 6,22,23 Ti-Zr alloys are of a particular interest in this case. The T -P phase diagrams of Ti and Zr are very similar up to 10 GPa.…”
Section: Introductionmentioning
confidence: 99%
“…It is this increase in ^/-band occupancy with pressure of the transition metals with a partially filled d band like Ti, Zr, and Hf that makes the pressure effects equivalent to alloying with d-rich metals. Some model calculations 6,7 show that the pressure-induced electron transfer from the s band to the d band is greater for the first several columns of transition element series. Therefore, the transition metals in the first several columns are expected to show phase transitions at modest pressures, while ultrahigh pressures greater than 200 GPa will likely be required for the phase transitions of the metals near the middle of the transition element series.…”
mentioning
confidence: 99%
“…This electronic transition, which occurs over a wide range in volume, results in many structural transitions as well as in bulkmodulus anomalies in the group-L4 to IIJ5 elements. 1 " 4 The rare-earth crystal-structure sequence hep-Sm type-dhep-fee with decreasing atomic number and increasing pressure is one such example. In the course of s-*d transfer in these materials, various band extrema pass ! through the Fermi energy, thereby changing the connectivity of the Fermi surface.…”
mentioning
confidence: 99%