scholarly journals Thermoelectric properties of the Zintl phases Yb5M2Sb6(M = Al, Ga, In)

2015 ◽  
Vol 44 (15) ◽  
pp. 6767-6774 ◽  
Author(s):  
Umut Aydemir ◽  
Alex Zevalkink ◽  
Alim Ormeci ◽  
Heng Wang ◽  
Saneyuki Ohno ◽  
...  
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Zintl Phases ◽  
Seebeck Coefficients ◽  
Band Structure Calculations ◽  
P Type ◽  
Structure Calculations

Zintl compounds of Yb5M2Sb6(M = Al, Ga, and In) exhibit semimetallic properties with high p-type carrier concentrations, low resistivities and low Seebeck coefficients in agreement with our band structure calculations.

The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds

2016 ◽  
Vol 30 (20) ◽  
pp. 1650141 ◽  
Author(s):  
A. A. Mubarak
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Optical Parameters ◽  
Lattice Constants ◽  
Energy Bandgap ◽  
Band Structure Calculations ◽  
Type Semiconductor ◽  
Oxide Perovskite ◽  
P Type ◽  
Structure Calculations

The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of [Formula: see text] [Formula: see text] and [Formula: see text] within the GGA. The calculated lattice constants and bulk modulus are found in agreement with previous studies. The present oxide–perovskite compounds are characterized as elastically stable and anisotropic. [Formula: see text] and [Formula: see text] are categorized as ductile compounds, whereas the [Formula: see text] compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect [Formula: see text]–[Formula: see text] energy bandgap for the present compounds. The hydrostatic pressure increases the energy bandgap and the width of the valence band. The character of the band structure does not change due to this pressure. The optical parameters are calculated in different radiation regions. Beneficial optics applications are predicted as revealed from the optical spectra. The transport properties are applied as a function of the variable temperatures or carrier concentration. It is found that the compounds under study are classified as a p-type semiconductor. The majority charge carriers responsible for conduction in these calculated compounds are holes rather than electrons.

LnPdSb and Ln3Au3Sb4: New Thermoelectric Materials

1998 ◽  
Vol 545 ◽  
Author(s):  
K. Mastronardi ◽  
D. Young ◽  
C.-C. Wang ◽  
A. P. Ramirez ◽  
P. Khalifah ◽  
...  
Keyword(s):  
Ambient Temperature ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Heusler Alloys ◽  
Disordered Materials ◽  
Cubic Symmetry ◽  
Seebeck Coefficients ◽  
Band Structure Calculations ◽  
P Type ◽  
Structure Calculations

AbstractThe thermoelectric properties near ambient temperature of half-Heusler alloys based on HoPdSb, DyPdSb, and ErPdSb are reported. The Seebeck coefficients are between 60 and 250 μV/K. The resistivities range between 0.6 and 20 mΩcm, and the majority carriers are p-type. Thermal conductivities are smallest in intentionally disordered materials. The highest ambient temperature ZT obtained is 0.06. Band structure calculations are presented, and are compared to those for ZrNiSn. It is suggested that half-Heusler alloys with 18 electrons per formula unit may represent a large class of thermoelectric materials. The thermoelectric properties of another family of cubic symmetry antimonides, based on Ho3Au3Sb4 and Sm3Au3Sb4, are also reported.

Rigorous hole band structure calculations of p-type δ-doping superlattices in silicon

1999 ◽  
Vol 25 (1-2) ◽  
pp. 67-71
Author(s):  
A.L Rosa ◽  
L.M.R Scolfaro ◽  
J.R Leite ◽  
G.M Sipahi
Keyword(s):  
Band Structure ◽  
Band Structure Calculations ◽  
Hole Band ◽  
P Type ◽  
Structure Calculations

scholarly journals Fermi surface of the skutterudite CoSb3 : Quantum oscillations and band-structure calculations

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
M. Naumann ◽  
P. Mokhtari ◽  
Z. Medvecka ◽  
F. Arnold ◽  
M. Pillaca ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Surface ◽  
Quantum Oscillations ◽  
Band Structure Calculations ◽  
Structure Calculations

Extrinsic photonic band structure calculations of a doped semiconductor under an external magnetic field

2008 ◽  
Vol 372 (31) ◽  
pp. 5224-5228 ◽  
Author(s):  
Renlong Zhou ◽  
Xuewen Wang ◽  
Bingju Zhou ◽  
Yongyi Gao ◽  
Xiaojuan Liu ◽  
...  
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Band Structure ◽  
Photonic Band Structure ◽  
Band Structure Calculations ◽  
Photonic Band ◽  
Structure Calculations

Study on Phases and Thermoelectric Properties of Bulk Fe4Sb12 and Fe3CoSb12 Prepared by Milling and Sintering

2011 ◽  
Vol 121-126 ◽  
pp. 1526-1529
Author(s):  
Ke Gao Liu ◽  
Jing Li
Keyword(s):  
Thermoelectric Properties ◽  
Impurity Phase ◽  
Semiconductor Materials ◽  
Thermal Constant ◽  
X Ray Diffraction ◽  
X Ray ◽  
Seebeck Coefficients ◽  
Maximum Value ◽  
Type Semiconductor ◽  
P Type

Bulk Fe4Sb12 and Fe3CoSb12 were prepared by sintering at 600 °C. The phases of samples were analyzed by X-ray diffraction and their thermoelectric properties were tested by electric constant instrument and laser thermal constant instrument. Experimental results show that, the major phases of bulk samples are skutterudite with impurity phase FeSb2. The electric resistivities of the samples increase with temperature rising at 100~500 °C. The bulk samples are P-type semiconductor materials. The Seebeck coefficients of the bulk Fe4Sb12 are higher than those of bulk Fe3CoSb12 samples at 100~200 °C but lower at 300~500 °C. The power factor of the bulk Fe4Sb12 samples decreases with temperature rising while that of bulk Fe3CoSb12 samples increases with temperature rising at 100~500 °C. The thermal conductivities of the bulk Fe4Sb12 samples are relatively higher than those of and Fe3CoSb12, which maximum value is up to 0.0974 Wm-1K-1. The ZT value of bulk Fe3CoSb12 increases with temperature rising at 100~500 °C, the maximum value is up to 0.031.The ZT values of the bulk Fe4Sb12 samples are higher than those of bulk Fe3CoSb12 at 100~300 °C while lower at 400~500 °C.

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