1. Theoretical and Computational
Texas Tech University
Dr. Charles W. Myles Professor of Physics Department of Physics Texas Tech University
Theoretical and Computational
Materials Physics

2. Theoretical and Computational Materials Physics
Semiconductor Materials
Thermoelectric Materials
First-Principles Calculations
Structural & Electronic Properties
Vibrational & Thermal Properties
Transport Properties

3. Properties of Semiconductors
Theoretical/Computational Materials Physics, Professor Charles W. Myles
Properties of Semiconductors
First-Principles Calculations
Clathrate Semiconductors
Thermoelectrics
Structural & Electronic Properties
Vibrational Properties
Electronic & Thermal Transport

4. Type I & Type II Clathrates
Type I Clathrates
Si46, Ge46, Sn46
Type II Clathrates
Si136, Ge136, Sn136

5. Calculated & Measured Raman Spectra: Nolas, Myles, et al.
Theoretical/Computational Materials Physics, Professor Charles W. Myles
Lattice Constant
vs. x in NaxSi136 l
Calculated
X-Ray Data
Calculated & Measured Raman Spectra: Nolas, Myles, et al.
J. Appl. Phys. 92, (2003).

6. Theoretical/Computational Materials Physics, Professor Charles W. Myles
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IG Dark Red
181 / 12 / 0
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5 / 33 / 71
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189 / 140 / 0
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63 / 74 / 19
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113 / 61 / 4
IG Purple
92 / 28 / 73
IG Terracotta
184 / 61 / 0
IG Gray
100 / 100 / 100

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