Query: Connecting bulk properties of germanium with the behavior of self- and dopant diffusion

Candidate papers:

abstract: Abstract The understanding of self and dopant diffusion properties over a range of temperatures and pressures can be technologically important for the formation of defined and efficient nanoelectronic devices. Phosporous, Arsenic and antimony are n type dopants that can be considered for n channel germanium metal oxide semiconductor field effect transistors. Using recent experimental data we show that elastic and expansivity data can reproduce the self diffusion and n type dopant diffusion coefficient of germanium in the temperature range 702 1177 K. This is achieved in the framework of the cBO model, which assumes that the defect Gibbs energy is proportinal to the isothermal bulk modulus and the mean volume per atom.
author_names: Alexander Chroneos

R V Vovk
title: Connecting bulk properties of germanium with the behavior of self and dopant diffusion
year: 2015

abstract: Diffusion is a fundamental process that can have an impact on numerous technological applications, such as nanoelectronics, nuclear materials, fuel cells, and batteries, whereas its understanding is important across scientific fields including materials science and geophysics. In numerous systems, it is difficult to experimentally determine the diffusion properties over a range of temperatures and pressures. This gap can be bridged by the use of thermodynamic models that link point defect parameters to bulk properties, which are more easily accessible. The present review offers a discussion on the applicability of the cBO model, which assumes that the defect Gibbs energy is proportional to the isothermal bulk modulus and the mean volume per atom. This thermodynamic model was first introduced 40 years ago; however, consequent advances in computational modelling and experimental techniques have regenerated the interest of the community in using it to calculate diffusion properties, particularly under extrem.
author_names: Alexander Chroneos
title: Connecting point defect parameters with bulk properties to describe diffusion in solids
year: 2016

abstract: Copper diffusion in germanium is fundamentally and technologically important as it has a very low activation energy and influences the precipitation and gettering of copper respectively. These constitute the understanding of copper's diffusion properties in germanium over a range of temperatures and pressures important. In the present study we use the cBO model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (O) The elastic and expansivity data is used in the description of the cBO model to derive the copper interstitial diffusion coefficient in germanium in the temperature range 827 1,176 K. The calculated results are discussed in view of the available experimental data.
author_names: Alexander Chroneos

Yerassimos Panayiotatos

R V Vovk
title: Copper diffusion in germanium: connecting point defect parameters with bulk properties
venue: Journal of Materials Science: Materials in Electronics
year: 2015

abstract: The understanding of dopant diffusion and its temperature dependance is technologically important in metals. As a model system we consider germanium diffusion in aluminium. This is an appropriate system as germanium does not form intermetallic compounds in aluminium and therefore it simplifies the investigation of its diffusion behavior. Here we use experimental elastic and expansivity data to derive the germanium diffusion coefficient in aluminium in the framework of the so called cBO model, between 673 and 883 K. This model is a powerful way to study point defect parameters in metals as it connects them to bulk properties, which are more easily accessible. The calculated diffusivities are in excellent agreement with the experimental data.
author_names: E Ganniari-Papageorgiou

Michael E Fitzpatrick

Alexander Chroneos
title: Germanium diffusion in aluminium: connection between point defect parameters with bulk properties
venue: Journal of Materials Science: Materials in Electronics
year: 2015

abstract: Indium is a p type dopant that can be considered for p channel germanium metal oxide semiconductor field effect transistors. As such understanding its diffusion properties over a range of temperatures and pressures is technologically important. This can be realized in the cBO model in which the defect Gibbs energy is proportional to the isothermal bulk modulus (B) and the mean volume per atom (O) In the present study elastic and expansivity data is used in the framework of the cBO model to derive the indium diffusion coefficient in germanium in the temperature range 827 1,176 K. The calculated results are in excellent agreement with the available experimental data.
author_names: Alexander Chroneos

R V Vovk
title: Modeling indium diffusion in germanium by connecting point defect parameters with bulk properties
venue: Journal of Materials Science: Materials in Electronics
year: 2015

abstract: quantum confinement of electrons and phonons. All chapters have their own references (from historical important papers to modern monographs and textbooks) and are enriched with tables of material parameters, figures and problems (105 in total) The book contains 246 two color figures, 50 tables, a subject index and a very interesting appendix "Pioneers of Semiconductor Physics remember." Heavy emphasis on optical properties and photoelectron spectroscopy reflects the expertise of the authors. The book treats semiconductors as materials, no device applications are contained. It attempts to fill the gap between solid state physics textbooks and research articles. The approach is physical and intuitive rather than formal. Theories are presented to explain experimental results. In the author's opinion it needs for understanding only undergraduate physics and mathematics course materials (with the exception of group theory, which is presented as a "crash course" in chapter 2.3) but in fact a deeper understanding of special topics requires knowledge in second quantization. Greens functions and Freynman diagrams (for calculating light scattering) The book will be of great value for graduate students and research students in the field of semiconductor physics, for lecturers of semiconductor physics and for engineers working in the field of research and development of electronic and especially of optoelectronic devices.
author_names: Klaus Kreher
title: Fundamentals of Semiconductors Physics and Materials Properties
year: 1997

abstract: Zinc oxide is a unique material that exhibits semiconducting and piezoelectric dual properties. Using a solid vapour phase thermal sublimation technique, nanocombs, nanorings, nanohelixes/nanosprings, nanobelts, nanowires and nanocages of ZnO have been synthesized under specific growth conditions. These unique nanostructures unambiguously demonstrate that ZnO probably has the richest family of nanostructures among all materials, both in structures and in properties. The nanostructures could have novel applications in optoelectronics, sensors, transducers and biomedical sciences. This article reviews the various nanostructures of ZnO grown by the solid vapour phase technique and their corresponding growth mechanisms. The application of ZnO nanobelts as nanosensors, nanocantilevers, field effect transistors and nanoresonators is demonstrated.
author_names: Zhong Lin Wang
title: Zinc oxide nanostructures: growth, properties and applications
year: 2004

abstract: From a theory of Hohenberg and Kohn, approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the ground state, they lead to self consistent equations analogous to the Hartree and Hartree Fock equations, respectively. In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials. (The exchange portion of our effective potential differs from that due to Slater by a factor of \frac{2}{3} Electronic systems at finite temperatures and in magnetic fields are also treated by similar methods. An appendix deals with a further correction for systems with short wavelength density oscillations.
author_names: Walter Kohn

Lu J Sham
title: Self Consistent Equations Including Exchange and Correlation Effects
year: 1965

abstract: MOSFETs with gate length down to 17 nm are reported. To suppress the short channel effect, a novel self aligned double gate MOSFET, FinFET, is proposed. By using boron doped Si/sub 0.4/Ge/sub 0.6/ as a gate material, the desired threshold voltage was achieved for the ultrathin body device. The quasiplanar nature of this new variant of the vertical double gate MOSFETs can be fabricated relatively easily using the conventional planar MOSFET process technologies.
author_names: Digh Hisamoto

Wen-Chin Lee

Jakub Kedzierski

Hideki Takeuchi

K Asano

C Kuo

Erik H Anderson

Tsu-Jae King

Jeffrey Bokor

Chenming Calvin Hu
title: FinFET a self aligned double gate MOSFET scalable to 20 nm
year: 2000

abstract: We present a pair of nonorthogonal tight binding (TB) models for germanium within the NRL TB approach. One uses an sp 3 basis, and is optimized for total energy calculations by fitting to the total energy and band structures of several high symmetry lattice structures. The other uses an spuds basis to accurately reproduce the diamond lattice band structure, including three conduction bands. We present tests of the sp 3 TB model on bulk properties, including high symmetry lattice structure energies and volumes and the diamond lattice elastic constants, phonons, and band structure. We also present results for point defect formation and relaxation energies and low index surface energies and stresses, many of which have not been calculated using the density functional theory (DFT) as well as some medium size clusters. Taking advantage of the computational efficiency of the TB approach, we go beyond the capabilities of standard density functional theory, combining it with molecular dynamics to simulate finite temperature properties of Ge. We get good agreement with experiment for the atomic mean squared displacement and the melting point approximated using the Linde mann criterion, as well as the linear thermal expansion coefficient. In another demonstration of the efficiency of the TB approach, we present results for the structure and electronic properties of a high angle twist grain boundary (GB) In agreement with DFT simulation we see a range of structures with comparable energies, all with electronic states deep in the band gap. In contrast to previous work we find some different geometries with perfect fourfold coordination of all atoms in the GB. Despite the perfect coordination, these structures also have deep electronic states in the gap, indicating that the GB will be electrically active.
author_names: Noam Bernstein

Michael J Mehl

Dimitrios A Papaconstantopoulos
title: Nonorthogonal tight binding model for germanium
year: 2002