Prediction of Giant Thermoelectric Power Factor in Type-VIII Clathrate Si46 von Norouzzadeh, Payam, Myles, Charles W., Vashaee, Daryoosh

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

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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 AxSi136 (A = Na, K,... von Xue, Dong, Deng, Yanbin, Myles, Charles W

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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 x Si 136 (A = Na,... von Xue, Dong, Deng, Yanbin, Myles, Charles W

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Phonon dynamics in type-VIII silicon clathrates: Beyond the rattler concept von Norouzzadeh, Payam, Myles, Charles W., Vashaee, Daryoosh

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First-Principles Investigation on Type-II Aluminum-Substituted Ternary and Quaternary Clathrate Semiconductors R8Al8Si128 (R = Cs, Rb), Cs8Na16Al24Si112 von Xue, Dong, Myles, Charles W.

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

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Electronic Property and Negative Thermal Expansion Behavior of Si136-xGex (x = 8, 32, 40, 104) Clathrate Solid Solution from First Principles von Xue, Dong, Myles, Charles W.

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First Principles Study of the Vibrational and Thermal Properties of Sn-Based Type II Clathrates, CsxSn136 (0 ≤ x ≤ 24) and Rb24Ga24Sn112 von Zahid, Hadeel, Xue, Dong, Myles, Charles

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Framework Contraction in Na-Stuffed Si(cF136) von Beekman, Matt, Nenghabi, Emmanuel N, Biswas, Koushik, Myles, Charles W, Baitinger, Michael, Grin, Yuri, Nolas, George S

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Correction: First Principles Study of the Vibrational and Thermal Properties of Sn-Based Type II Clathrates CsxSn136 (0 ≤ x ≤ 24) and Rb24Ga24Sn112. Inorganics 2019, 7, 74 von Zahid, Hadeel, Xue, Dong, Myles, Charles W.

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first-principles lattice dynamical study of type-I, type-II, and type-VIII silicon clathrates von Norouzzadeh, Payam, Myles, Charles W.

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Prediction of a large number of electron pockets near the band edges in type-VIII clathrate Si 46 and its physical properties from first principles von Norouzzadeh, Payam, Myles, Charles W, Vashaee, Daryoosh

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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 von Norouzzadeh, Payam, Myles, Charles W, Vashaee, Daryoosh

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Electronic, elastic, vibrational, and thermodynamic properties of type-VIII clathrates Ba8Ga16Sn30 and Ba8Al16Sn30 by first principles von Norouzzadeh, Payam, Myles, Charles W., Vashaee, Daryoosh

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Rattling “guest” impurities in Si and Ge clathrate semiconductors von Myles, Charles W., Biswas, Koushik, Nenghabi, Emmanuel

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Structural, electronic, phonon and thermodynamic properties of hypothetical type-VIII clathrates Ba8Si46 and Ba8Al16Si30 investigated by first principles von Norouzzadeh, Payam, Myles, Charles W., Vashaee, Daryoosh

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Effect of Guest Atom Composition on the Structural and Vibrational Properties of the Type II Clathrate-Based Materials AxSi136, AxGe136 and AxSn136 (A = Na, K, Rb, Cs; 0 ≤ x ≤ 24)... von Xue, Dong, Myles, Charles W, Higgins, Craig

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

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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 x Si136 (A = Na, K... von Xue, Dong, Deng, Yanbin, Myles, Charles W

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