Resonance tunneling of X-electrons in AlAs/GaAs(111) structures: Pseudopotential calculations and models

2001 ◽  
Vol 35 (1) ◽  
pp. 106-111 ◽  
Author(s):  
G. F. Karavaev ◽  
V. N. Chernyshov
Keyword(s):  
Resonance Tunneling ◽  
Pseudopotential Calculations

Ab initio band theory approach to electron energy loss near edge structures

1988 ◽  
Vol 46 ◽  
pp. 506-507
Author(s):  
Xudong Weng ◽  
O.F. Sankey ◽  
Peter Rez
Keyword(s):  
Ab Initio ◽  
Local Density ◽  
Interpolation Method ◽  
Atomic Orbital ◽  
Plane Waves ◽  
Large Set ◽  
Theory Approach ◽  
Band Theory ◽  
Atomic Orbitals ◽  
Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

Nanofabricated SiO2-Si-SiO2 Resonant Tunneling Diodes

2000 ◽  
Vol 631 ◽  
Author(s):  
J. G. Fleming ◽  
E. Chow ◽  
S.-Y. Lin
Keyword(s):  
Integrated Circuits ◽  
Integrated Circuit ◽  
Resonant Tunneling ◽  
Resonant Tunneling Diodes ◽  
Resonance Tunneling ◽  
Tunneling Diodes

ABSTRACTResonance Tunneling Diodes (RTDs) are devices that can demonstrate very highspeed operation. Typically they have been fabricated using epitaxial techniques and materials not consistent with standard commercial integrated circuits. We report here the first demonstration of SiO2-Si-SiO2 RTDs. These new structures were fabricated using novel combinations of silicon integrated circuit processes.

Resonance tunneling of a classical particle

1996 ◽  
Vol 53 (1) ◽  
pp. 1250-1252 ◽  
Author(s):  
V. Berdichevsky ◽  
M. Gitterman
Keyword(s):  
Classical Particle ◽  
Resonance Tunneling

Crystal structure, compressibility and possible phase transitions in \boldvarepsilon-FeSi studied by first-principles pseudopotential calculations

1999 ◽  
Vol 55 (4) ◽  
pp. 484-493 ◽  
Author(s):  
Lidunka Vočadlo ◽  
Geoffrey D. Price ◽  
I. G. Wood
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Phase Transitions ◽  
First Principles ◽  
Stable Phase ◽  
Third Order ◽  
First Derivative ◽  
Pseudopotential Calculations ◽  
Cscl Type ◽  
Murnaghan Equation

An investigation of the relative stability of the FeSi structure and of some hypothetical polymorphs of FeSi has been made by first-principles pseudopotential calculations. It has been shown that the observed distortion from ideal sevenfold coordination is essential in stabilizing the FeSi structure relative to one of the CsCl type. Application of high pressure to FeSi is predicted to produce a structure having nearly perfect sevenfold coordination. However, it appears that FeSi having a CsCl-type structure will be the thermodynamically most stable phase for pressures greater than 13 GPa. Fitting of the calculated internal energy vs volume for the FeSi structure to a third-order Birch–Murnaghan equation of state led to values, at T = 0 K, for the bulk modulus, K 0, and for its first derivative with respect to pressure, K 0′, of 227 GPa and 3.9, respectively.

Pseudopotential calculations of elastic scattering of electrons by helium atoms in the range 0–20 eV

1990 ◽  
Vol 68 (1) ◽  
pp. 104-110 ◽  
Author(s):  
B. Plenkiewicz ◽  
P. Plenkiewicz ◽  
J.-P. Jay-Gerin
Keyword(s):  
Experimental Data ◽  
Elastic Scattering ◽  
Momentum Transfer ◽  
Cross Sections ◽  
Theoretical Calculations ◽  
Incident Electron ◽  
Elastic Electron ◽  
Scattering System ◽  
Helium Atoms ◽  
Pseudopotential Calculations

Our earlier pseudopotential calculations on electrons colliding with argon and krypton are extended to consider the elastic electron–helium scattering system. In this paper, we present detailed results for phase shifts, differential, total, and momentum-transfer cross sections for this system for incident electron energies in the range from 0 to 20 eV. These agree very well with existing experimental data and with other theoretical calculations.

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