Publications by authors named "CW Myles"

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Probing the mechanism of guest-framework bonding interactions through a first-principles study on the structural and electronic properties of type-II clathrate A Si (A = Na, K, Rb; 0 ≤ ≤ 24) under pressure.
Dong Xue, Yanbin Deng, Charles W Myles

RSC Adv· June 2024

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Electronic Property and Negative Thermal Expansion Behavior of SiGe ( = 8, 32, 40, 104) Clathrate Solid Solution from First Principles.
Dong Xue, Charles W Myles

Nanomaterials (Basel)· June 2019

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First-Principles Analysis of Vibrational Properties of Type II SiGe Alloy Clathrates.
Dong Xue, Charles W Myles

Nanomaterials (Basel)· May 2019

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First-Principles Study of the Electronic, Vibrational Properties and Anharmonic Effects of Some Si-Based Type-II Binary Clathrates.
Dong Xue, Charley W Myles

Materials (Basel)· February 2019

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Effect of Guest Atom Composition on the Structural and Vibrational Properties of the Type II Clathrate-Based Materials ASi, AGe and ASn (A = Na, K, Rb, Cs; 0 ≤ x ≤ 24).
Dong Xue, Charles W Myles, Craig Higgins

Materials (Basel)· August 2016

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Type VIII Si based clathrates: prospects for a giant thermoelectric power factor.
Payam Norouzzadeh, Jerzy S Krasinski, Charles W Myles, Daryoosh Vashaee

Phys Chem Chem Phys· April 2015

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Prediction of giant thermoelectric power factor in type-VIII clathrate Si46.
Payam Norouzzadeh, Charles W Myles, Daryoosh Vashaee

Sci Rep· November 2014

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Prediction of a large number of electron pockets near the band edges in type-VIII clathrate Si46 and its physical properties from first principles.
Payam Norouzzadeh, Charles W Myles, Daryoosh Vashaee

J Phys Condens Matter· November 2013

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Framework contraction in Na-stuffed Si(cF136).
Matt Beekman, Emmanuel N Nenghabi, Koushik Biswas, Charles W Myles, Michael Baitinger

Inorg Chem· June 2010

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Theoretical study of the lattice thermal conductivity in Ge framework semiconductors.
J Dong, O F Sankey, C W Myles

Phys Rev Lett· March 2001

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Molecular-dynamics study of the vacancy and vacancy-hydrogen interactions in silicon.
YK Park, SK Estreicher, CW Myles, PA Fedders

Phys Rev B Condens Matter· July 1995

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Molecular-dynamics study of defect formation in a-Si:H.
YK Park, CW Myles

Phys Rev B Condens Matter· January 1995

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Semiempirical total-energy functional for silicon-hydrogen interactions in solids.
YK Park, CW Myles

Phys Rev B Condens Matter· December 1993

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Deep-level wave functions including lattice-relaxation effects.
WG Li, CW Myles

Phys Rev B Condens Matter· February 1993

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Molecular-dynamics approach to lattice-relaxation effects on deep levels in semiconductors.
WG Li, CW Myles

Phys Rev B Condens Matter· April 1991

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Effects of lattice relaxation on deep levels in semiconductors.
WG Li, CW Myles

Phys Rev B Condens Matter· January 1991

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Alloy disorder effects on the electronic properties of III-V quaternary semiconductor alloys.
SN Ekpenuma, CW Myles, JR Gregg

Phys Rev B Condens Matter· February 1990

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Generalized embedded-atom format for semiconductors.
AE Carlsson, PA Fedders, CW Myles

Phys Rev B Condens Matter· January 1990

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Effect of alloy disorder on the deep levels produced by the anion vacancy in GaAs1-xPx.
SA Tang, CW Myles, WC Ford

Phys Rev B Condens Matter· December 1989

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Deep levels associated with triplet impurity complexes in GaP.
WG Li, CW Myles, YT Shen

Phys Rev B Condens Matter· November 1989

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Chemical trends for deep levels associated with vacancy-impurity complexes in semiconductors.
YT Shen, CW Myles

Phys Rev B Condens Matter· September 1989

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Theory of time-resolved luminescence of bound excitons in semiconductor alloys.
HP Hjalmarson, CW Myles

Phys Rev B Condens Matter· March 1989

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Theory of alloy broadening of deep levels in semiconductor alloys: Effects of second-neighbor disorder.
WC Ford, CW Myles, RL Lichti

Phys Rev B Condens Matter· November 1988

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Alloy broadening of the deep electronic levels associated with the As vacancy in AlxGa.
WC Ford, CW Myles

Phys Rev B Condens Matter· July 1988

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Phonon-assisted indirect recombination of bound excitons in N-doped GaP, including near-resonant processes.
H Dai, MA Gundersen, CW Myles, PG Snyder

Phys Rev B Condens Matter· January 1988

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