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Physical Review B - Condensed Matter and Materials Physics, ISSN 0163-1829, 11/2002, Volume 66, Issue 19, pp. 1953021 - 19530210
Convergence of density-functional supercell calculations for defect formation energies, charge transition levels, localized defect state properties, and defect... 
PHYSICS, CONDENSED MATTER | SELF-DIFFUSION | TEMPERATURE-GROWN GAAS | MOLECULAR-BEAM EPITAXY | AS-RICH GAAS | RAY DIFFUSE-SCATTERING | GALLIUM-ARSENIDE | BAND-GAPS | BRILLOUIN-ZONE | NATIVE POINT-DEFECTS | ELECTRONIC-STRUCTURE | Physics - Materials Science
Journal Article
Computational Materials Science, ISSN 0927-0256, 10/2018, Volume 153, pp. 141 - 145
The effect of rearrangement of the electronic band structure by changing the volume of a crystalline cell was investigated by means of first-principles... 
Thermoelectric materials | Electronic structure | Transport properties | Volumetric bands convergence | THERMOELECTRIC-MATERIALS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHASE-DIAGRAM | Structure | Analysis | Crystals
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 02/2019, Volume 775, p. 769
We synthesize a single-crystal Pb1-x-ySnxFeyTe (x = 0.08, y = 0.01) ingot and investigate the distributions of tin and iron along it, as well as the... 
Scanning electron microscopy | Temperature | Electromagnetism | Alloys | Iron | Hall effect | Valence band | Coefficients | Dispersion | Convergence | Single crystals | Electronic structure | Impurities | Tin | Lead | Ingots
Journal Article
ACTA MATERIALIA, ISSN 1359-6454, 06/2017, Volume 131, pp. 98 - 109
Journal Article
Acta Materialia, ISSN 1359-6454, 06/2017, Volume 131, pp. 98 - 109
Lead chalcogenides have long been studied as promising thermoelectric materials, operating at the mid-temperature range of 500–950 K. Here, we studied... 
High zT | Thermoelectric | Device efficiency | Nano precipitation | Band convergence
Journal Article
Applied Physics Letters, ISSN 0003-6951, 05/2016, Volume 108, Issue 18
SnTe is renowned for its promise in advancing energy-related technologies based on thermoelectricity and for its topological crystalline insulator character.... 
Tellurides | Crystal defects | Point defects | Bohr magneton | Intermetallic compounds | Magnetic moments | Seebeck effect | Hall effect | High temperature | Valence band | Curie temperature | Convergence | Thermal conductivity | Magnetism | Ferromagnetism | Manganese | Low temperature
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 12/2018, Volume 122, Issue 51, pp. 29150 - 29157
Development of efficient thermoelectric materials requires a designing approach that leads to excellent electronic and phononic transport properties. Using... 
ZNGEP2 | PERFORMANCE | PBTE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ZNSNP2 | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ZNSIP2 | BAND-STRUCTURE | EFFICIENCY
Journal Article
Journal of Mathematical Analysis and Applications, ISSN 0022-247X, 05/2017, Volume 449, Issue 1, pp. 718 - 733
We consider cardinal interpolation on gridded data by using various radial basis functions associated with one or two parameters, one of which leads... 
Radial basis function | Cardinal interpolation | Band limited | Multiquadric | MATHEMATICS | MATHEMATICS, APPLIED | THEOREM | SPLINE FUNCTIONS
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 08/2017, Volume 281, pp. 94 - 103
Journal Article
NUMERICAL FUNCTIONAL ANALYSIS AND OPTIMIZATION, ISSN 0163-0563, 2017, Volume 38, Issue 2, pp. 224 - 247
In this article, we consider the reconstruction of a bandlimited function from its finite localized sample data. Truncating the classical Shannon sampling... 
MATHEMATICS, APPLIED | Gaussian regularization | TRUNCATION ERROR | APPROXIMATION | DISCRETE SINGULAR CONVOLUTION | SPACES | THEOREM | RECONSTRUCTION | Average sampling | Shannon's sampling series | bandlimited functions | BAND-LIMITED FUNCTIONS | SHIFT-INVARIANT | LOCAL AVERAGES | EQUATION | oversampling
Journal Article
Computer Physics Communications, ISSN 0010-4655, 12/2013, Volume 184, Issue 12, pp. 2670 - 2679
Journal Article
Energy & Environmental Science, ISSN 1754-5692, 11/2016, Volume 9, Issue 11, pp. 3436 - 3447
Semiconductors with converging multiple electronic valleys and soft chemical bonds are ideal for high-performance thermoelectrics. Narrow gap Bi2Se3 is a... 
Semiconductors | Banded structure | Phonons | Chemical bonds | Electronics | Softening | Thermoelectricity | Convergence
Journal Article
Physica B: Condensed Matter, ISSN 0921-4526, 12/2015, Volume 479, pp. 1 - 5
Journal Article
Signal Processing, ISSN 0165-1684, 2010, Volume 90, Issue 1, pp. 145 - 156
Journal Article
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