Results 201 to 210 of about 171,744 (267)

Nanotwin architecture and ultra-high valley degeneracy lead to high thermoelectric performance in GeTe-based thermoelectric materials. [PDF]

Nat Commun
Li S, Yang Y, Fei X, Geng Y, Nan J, Peng P, Li G, Zhang Y, Liu X, Zhang Y, Wu H, Tang G.   +11 more
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Effect of Exchange-Correlation Functionals on Schottky Barriers at Si/Metal Interfaces. [PDF]

J Phys Chem C Nanomater Interfaces
Dovale-Farelo V, Choudhary K.
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The effects of surface termination, stoichiometry, and strain on the optical properties of bulk-like ZnSe/ZnS core-shell nanocrystals. [PDF]

Sci Rep
Zieliński M, Gajewicz-Skretna A.
europepmc   +1 more source

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Band calculations for vanadium

Solid State Communications, 1969
Abstract The band structure of vanadium is calculated by the augmented plane wave method. The computations were made for two different coefficients of the exchange term of the crystal potential i.e., 1. and 2 3 . In addition calculations were made for three different lattice spacings, normal, reduced 5 per cent and expanded 5 per cent.
James R. Anderson, Joseph W. McCaffrey, Dimitrios A. Papaconstantopoulos   +2 more
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Calculation of complex band structures

Surface Science, 1970
Abstract The primary purpose of this article is to derive some simple expressions which can be used for numerical computation of wavefunctions and energies in band gaps. It is shown that results of the k · p approach to the calculation of complex band structures are consistent with the known properties of complex bands.
V. Hoffstein, D.S. Boudreaux
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Energy Bands of Alkali Metals. I. Calculated Bands

Physical Review, 1962
The results of energy band calculations for all of the alkali metals Li, Na, K, Rb, and Cs, obtained using the quantum defect method and the Green's function method, are reported for points of low symmetry within the Brillouin zone as well as for the usual points of high symmetry.
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Energy Band Calculation of LaCu6

Physica B: Condensed Matter, 1990
Abstract We have carried out a band calculation of LaCus, which is a reference material of a heavy fermion compound CeCu 6 , by an LAPW method and the local density approximation. We have also calculated Fermi surfaces and extremal areas in order to compare with the de Haas-van Alphen effects.
Hisatomo Harima, Akira Yanase, Akira Hasegawa   +2 more
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Projective representations for energy band calculations

Proceedings of the third ACM symposium on Symbolic and algebraic computation - SYMSAC '76, 1976
This paper is then divided into two sections. In Section I we more precisely state the relation between the irreducible representations of the group of the wave vector and the projective representations of the associated point group and also develop needed machinery from the theory of projective representations. The algorithm is presented in Section II
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