Gitterschwingungsspektren. XXIII. IR‐spektroskopische Untersuchungen an Verbindungen des Skutterudit‐Typs MX<sub>3</sub> (M = Co, Rh, Ir; X = P, As, Sb)

Lutz, H. D.; Kliche, G.

doi:10.1002/zaac.19814800913

Cited by 24 publications

(14 citation statements)

References 11 publications

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“…A similar trend in carrier concentration was also observed in the far-infrared reflection study of these compounds. [11][12][13][14] In addition, the calculated energy gaps from the optical data were found to be 0.045 and 0.042 eV for CoP 3 ͑Refs. 12 and 13͒ and 0.21 eV for CoAs 3 ͑Refs.…”

Section: Introductionmentioning

confidence: 95%

Preparation and thermoelectric properties of CeFe4As12

Watcharapasorn

Feigelson

Caillat

et al. 2002

Journal of Applied Physics

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The thermoelectric properties of CeFe4As12 have been measured. The compound was synthesized by reacting a powder mixture of CeAs2 and FeAs2 with As metal. The sample was characterized by both x-ray diffractometry and electron microprobe analysis. The Seebeck coefficient, electrical resistivity, Hall effect, and the thermal conductivity were measured between room temperature and about 900 K. The results indicate that CeFe4As12 possesses semimetallic behavior similar to that of CeFe4Sb12 with a room temperature electrical resistivity of 0.49 mΩ cm and a Seebeck coefficient of about 40 μV/K. The thermal conductivity of CeFe4As12 lies between that of CeFe4P12 and CeFe4Sb12 as may be expected from considerations of anionic mass and rattling effect of Ce atoms inside the skutterudite unit cell. A maximum thermoelectric figure of merit value of about 0.4 was obtained at 850 K for this compound.

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Section: Introductionmentioning

confidence: 95%

Preparation and thermoelectric properties of CeFe4As12

Watcharapasorn

Feigelson

Caillat

et al. 2002

Journal of Applied Physics

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“…1 The primitive unit cell of the skutterudite structure contains 16 atoms and possess a maximum of 45 different optical vibrational modes, some of which are doubly or triply degenerate. 2 Of these there are seven infraredactive modes and eight Raman-active modes. 2 The maximum lattice vibration frequencies of the skutterudites can be estimated from their Debye temperatures, ⍜.…”

Section: Introductionmentioning

confidence: 99%

“…2 Of these there are seven infraredactive modes and eight Raman-active modes. 2 The maximum lattice vibration frequencies of the skutterudites can be estimated from their Debye temperatures, ⍜. The Debye temperature determined from the elastic constants is 308 K for IrSb 3 , 3 and 306 K for CoSb 3 .…”

Section: Introductionmentioning

confidence: 99%

Raman scattering study of antimony-based skutterudites

Nolas

Slack

Caillat

et al. 1996

Journal of Applied Physics

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Articles you may be interested inPlasma dispersion effect in heavily doped antimony-based passive optical waveguides Appl. Phys. Lett. 92, 203508 (2008); 10.1063/1.2936298 Two-dimensional photonic crystals in antimony-based films fabricated by holography -earth ions occupy the voids in the skutterudite structure. These void-filling ions interact with some of the lattice vibrations in this structure and produce a shift and broadening of the observed lines. The most prominent lines in all of the samples are the Sb 4 ring-breathing modes.

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“…[3][4][5][6][7][8][9][10][11][12][13] While some of them seem to have substantial optical band gaps ͑0.45 and 1.4 eV for CoP 3 and IrSb 3 , respectively͒, 3,7 no optical gap is found for CoAs 3 and CoSb 3 .…”

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confidence: 99%

Electronic structure and bonding in skutterudite-type phosphides

et al. 1996

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The electronic structures of the skutterudite-type phosphides CoP 3 and NiP 3 have been investigated by means of first-principles linear muffin-tin orbital-atomic sphere approximation band-structure calculations. The presence of P 4 rings in the skutterudite structure is of great importance in determining the nature of the electronic bands around the Fermi level, composed mainly of -type molecular orbitals of these units. The metallic character found for NiP 3 should be ascribed to the phosphorus framework rather than to the metal atoms.The skutterudite ͑i.e., CoAs 3 -type͒ structure is found for a number of binary transition-metal pnictides M X 3 ͑Ref. 1͒, with interesting electronic properties that suggest their use as advanced thermoelectric materials.2,3 Except for NiP 3 , all other known compounds in this family ͑M X 3 with M ϭCo, Rh, Ir and XϭP, As, Sb͒ are isoelectronic and have been found to behave as diamagnetic p-type semiconductors. [3][4][5][6][7][8][9][10][11][12][13] While some of them seem to have substantial optical band gaps ͑0.45 and 1.4 eV for CoP 3 and IrSb 3 , respectively͒, 3,7 no optical gap is found for CoAs 3 and CoSb 3 .7 NiP 3 , the only known skutterudite 14,15 of a group-10 metal, shows metallic behavior with Pauli-type paramagnetism. 13Closely related crystal structures are found for the ternary compounds RM 4 X 12 ͑Rϭrare-earth metal, M ϭFe, Ru, Os, and XϭP, As, Sb͒. In these, the M 4 X 12 subnet adopts the skutterudite structure, [16][17][18][19] while the rare-earth metal atoms occupy the cubic positions that are empty in the binary phases. The physical properties of the ternary phosphides LaM 4 P 12 are specially interesting, being superconductors with transition temperatures T c ϭ4.1, 7.2, and 1.8 K for M ϭFe, Ru, and Os, 20 respectively. Although these compounds show interesting physical properties, relatively little is known about their electronic structure, probably because of the complex crystal structure with a relatively open unit cell. So far, only two bandstructure calculations have been reported for the skutteruditetype compounds. In the first study, 21 the electronic structures of LaFe 4 P 12 and related compounds were analyzed by using the extended Hückel tight-binding ͑EHTB͒ method. Recently, self-consistent band-structure calculations, using the linear augmented plane-wave method for IrSb 3 , CoAs 3 , and CoSb 3 , have been published by Singh and Pickett. 22 In this contribution, we report first-principles bandstructure calculations using the linear muffin-tin orbital method in the atomic sphere approximation ͑LMTO-ASA͒ ͑Refs. 23-25͒ to explore the band structure of CoP 3 and NiP 3 . CRYSTAL STRUCTUREThe nature of the highest occupied bands, responsible for the electronic properties of a material, is strongly dependent on its crystal structure. A detailed knowledge of the crystal structure is, therefore, indispensable before analyzing the details of the electronic structure. In the case of the skutterudite structure ͑space-group Im3, n. 204͒, 26 the convention...

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Gitterschwingungsspektren. XXIII. IR‐spektroskopische Untersuchungen an Verbindungen des Skutterudit‐Typs MX₃ (M = Co, Rh, Ir; X = P, As, Sb)

Cited by 24 publications

References 11 publications

Preparation and thermoelectric properties of CeFe4As12

Preparation and thermoelectric properties of CeFe4As12

Raman scattering study of antimony-based skutterudites

Electronic structure and bonding in skutterudite-type phosphides

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Gitterschwingungsspektren. XXIII. IR‐spektroskopische Untersuchungen an Verbindungen des Skutterudit‐Typs MX3 (M = Co, Rh, Ir; X = P, As, Sb)

Cited by 24 publications

References 11 publications

Preparation and thermoelectric properties of CeFe4As12

Preparation and thermoelectric properties of CeFe4As12

Raman scattering study of antimony-based skutterudites

Electronic structure and bonding in skutterudite-type phosphides

Contact Info

Product

Resources

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Gitterschwingungsspektren. XXIII. IR‐spektroskopische Untersuchungen an Verbindungen des Skutterudit‐Typs MX₃ (M = Co, Rh, Ir; X = P, As, Sb)