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DENSITY-FUNCTIONAL CALCULATIONS IN V...

University of Michigan.

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DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS./
作者:	HAUTMAN, JOSEPH MURRAY.
面頁冊數:	100 p.
附註:	Source: Dissertation Abstracts International, Volume: 46-04, Section: B, page: 1225.
Contained By:	Dissertation Abstracts International46-04B.
標題:	Physics, Condensed Matter. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=8512420

DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS.
HAUTMAN, JOSEPH MURRAY.

DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS. - 100 p.

Source: Dissertation Abstracts International, Volume: 46-04, Section: B, page: 1225.

Thesis (Ph.D.)--University of Michigan, 1985.

We present three self-contained studies related to the density-functional theory. The three problems concern applications of this theory in highly inhomogeneous systems.Subjects--Topical Terms:

1018743
Physics, Condensed Matter.

DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS.
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100 1 $a HAUTMAN, JOSEPH MURRAY. $3 1044710
245 1 0 $a DENSITY-FUNCTIONAL CALCULATIONS IN VERY INHOMOGENEOUS SYSTEMS: ADSORBED FILMS AND QUASI-TWO-DIMENSIONAL ELECTRON LAYERS.
300 $a 100 p.
500 $a Source: Dissertation Abstracts International, Volume: 46-04, Section: B, page: 1225.
502 $a Thesis (Ph.D.)--University of Michigan, 1985.
520 $a We present three self-contained studies related to the density-functional theory. The three problems concern applications of this theory in highly inhomogeneous systems.
520 $a For the first problem a classical version of the theory is used to obtain a generalized law of corresponding states for adsorbed atoms or molecules on graphite. We calculate a family of phase diagrams which are sensitive to variations in the strengths of the competing adsorbate-adsorbate and substrate-adsorbate interactions, and may be useful in estimating these strengths. Appropriate diagrams are compared to the experimental data for Kr and N(,2) on graphite.
520 $a In the second application, we calculate subband energies and densities for electrons in quasi-two-dimensional layers in GaAs-Ge heterojunctions. The (100), (110), and (111) orientations of the Ge surface are considered and the results presented as a function of dopant concentrations in the bulk semiconductors.
520 $a Finally, we present a critical analysis of the local-density approximation, a method which is widely used for quasi-two-dimensional electron layers and many other applications. We show that the local approximation must fail completely for narrow enough layers and introduce two nonlocal approximations which are correct in that limit. The results suggest that the usual local methods may contain large errors for a range of density distributions typical of quasi-two-dimensional inversion and accumulation layers, and electron layers in semiconductor heterostructures. Our methods are also applied to a simple model of the metal surface. The nonlocal approximations are quite general and provide a simple method of dealing with density distributions with an arbitrarily large degree of inhomogeneity.
590 $a School code: 0127.
650 4 $a Physics, Condensed Matter. $3 1018743
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710 2 0 $a University of Michigan. $3 777416
773 0 $t Dissertation Abstracts International $g 46-04B.
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791 $a Ph.D.
792 $a 1985
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