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Thinking Like a Chemist: Intuition in Thermoelectric Materials

Bibliographic reference Zeier, Wolfgang G. ; Zevalkink, Alex ; Gibbs, Zachary M. ; Hautier, Geoffroy ; Kanatzidis, Mercouri G. ; et. al. Thinking Like a Chemist: Intuition in Thermoelectric Materials. In: Angewandte Chemie (International Edition), (2016)
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  1. Vining Cronin B., An inconvenient truth about thermoelectrics, 10.1038/nmat2361
  2. Rowe, Thermoelectrics Handbook. Macro to Nano (2006)
  3. Biswas Kanishka, He Jiaqing, Blum Ivan D., Wu Chun-I, Hogan Timothy P., Seidman David N., Dravid Vinayak P., Kanatzidis Mercouri G., High-performance bulk thermoelectrics with all-scale hierarchical architectures, 10.1038/nature11439
  4. Minnich A. J., Dresselhaus M. S., Ren Z. F., Chen G., Bulk nanostructured thermoelectric materials: current research and future prospects, 10.1039/b822664b
  5. Pei Yanzhong, Wang Heng, Snyder G. J., Thermoelectric Materials: Band Engineering of Thermoelectric Materials (Adv. Mater. 46/2012), 10.1002/adma.201290290
  6. Pei Yanzhong, Shi Xiaoya, LaLonde Aaron, Wang Heng, Chen Lidong, Snyder G. Jeffrey, Convergence of electronic bands for high performance bulk thermoelectrics, 10.1038/nature09996
  7. Weldert Kai S., Zeier Wolfgang G., Day Tristan W., Panthöfer Martin, Snyder G. Jeffrey, Tremel Wolfgang, Thermoelectric Transport in Cu7PSe6 with High Copper Ionic Mobility, 10.1021/ja5056092
  8. Liu Huili, Shi Xun, Xu Fangfang, Zhang Linlin, Zhang Wenqing, Chen Lidong, Li Qiang, Uher Ctirad, Day Tristan, Snyder G. Jeffrey, Copper ion liquid-like thermoelectrics, 10.1038/nmat3273
  9. Kauzlarich Susan M., Brown Shawna R., Jeffrey Snyder G., Zintl phases for thermoelectric devices, 10.1039/b702266b
  10. Nolas G. S., Cohn J. L., Dyck J. S., Uher C., Yang J., Transport properties of polycrystalline type-I Sn clathrates, 10.1103/physrevb.65.165201
  11. Sales B. C., Mandrus D., Williams R. K., Filled Skutterudite Antimonides: A New Class of Thermoelectric Materials, 10.1126/science.272.5266.1325
  12. Toberer Eric S., Christensen M., Iversen B. B., Snyder G. Jeffrey, High temperature thermoelectric efficiency inBa8Ga16Ge30, 10.1103/physrevb.77.075203
  13. Toberer Eric S., May Andrew F., Snyder G. Jeffrey, Zintl Chemistry for Designing High Efficiency Thermoelectric Materials†‡, 10.1021/cm901956r
  14. Chung D., CsBi4Te6: A High-Performance Thermoelectric Material for Low-Temperature Applications, 10.1126/science.287.5455.1024
  15. DiSalvo F. J., Thermoelectric Cooling and Power Generation, 10.1126/science.285.5428.703
  16. Goldsmid, Applications of Thermoelectricity (1960)
  17. LaLonde Aaron D., Pei Yanzhong, Wang Heng, Jeffrey Snyder G., Lead telluride alloy thermoelectrics, 10.1016/s1369-7021(11)70278-4
  18. Nolas George S., Poon Joe, Kanatzidis Mercouri, Recent Developments in Bulk Thermoelectric Materials, 10.1557/mrs2006.45
  19. Pei Yanzhong, LaLonde Aaron D., Wang Heng, Snyder G. Jeffrey, Low effective mass leading to high thermoelectric performance, 10.1039/c2ee21536e
  20. Snyder G. Jeffrey, Toberer Eric S., Complex thermoelectric materials, 10.1038/nmat2090
  21. Sootsman Joseph R., Chung Duck Young, Kanatzidis Mercouri G., New and Old Concepts in Thermoelectric Materials, 10.1002/anie.200900598
  22. Sootsman Joseph R., Chung Duck Young, Kanatzidis Mercouri G., Alte und neue Konzepte für thermoelektrische Materialien, 10.1002/ange.200900598
  23. Wood C, Materials for thermoelectric energy conversion, 10.1088/0034-4885/51/4/001
  24. He Jiaqing, Kanatzidis Mercouri G., Dravid Vinayak P., High performance bulk thermoelectrics via a panoscopic approach, 10.1016/j.mattod.2013.05.004
  25. Zhao Li-Dong, Dravid Vinayak P., Kanatzidis Mercouri G., The panoscopic approach to high performance thermoelectrics, 10.1039/c3ee43099e
  26. Wang, Thermoelectr. Nanomater. Springer Ser. Mater. Sci. 182, 3 (2013)
  27. Kanatzidis Mercouri G., Nanostructured Thermoelectrics: The New Paradigm?†, 10.1021/cm902195j
  28. Pomrehn Gregory S., Zevalkink Alex, Zeier Wolfgang G., van de Walle Axel, Snyder G. Jeffrey, Defect-Controlled Electronic Properties inAZn2Sb2Zintl Phases, 10.1002/anie.201311125
  29. Pomrehn Gregory S., Zevalkink Alex, Zeier Wolfgang G., van de Walle Axel, Snyder G. Jeffrey, Defect-Controlled Electronic Properties inAZn2Sb2Zintl Phases, 10.1002/ange.201311125
  30. Toberer Eric S., Brown Shawna R., Ikeda Teruyuki, Kauzlarich Susan M., Jeffrey Snyder G., High thermoelectric efficiency in lanthanum doped Yb14MnSb11, 10.1063/1.2970089
  31. Zevalkink Alex, Pomrehn Gregory S., Johnson Samantha, Swallow Jessica, Gibbs Zachary M., Snyder G. Jeffrey, Influence of the Triel Elements (M= Al, Ga, In) on the Transport Properties of Ca5M2Sb6Zintl Compounds, 10.1021/cm300520w
  32. Zevalkink Alex, Toberer Eric S., Bleith Tim, Flage-Larsen Espen, Snyder G. Jeffrey, Improved carrier concentration control in Zn-doped Ca5Al2Sb6, 10.1063/1.3607976
  33. Zevalkink Alex, Toberer Eric S., Zeier Wolfgang G., Flage-Larsen Espen, Snyder G. Jeffrey, Ca3AlSb3: an inexpensive, non-toxic thermoelectric material for waste heat recovery, 10.1039/c0ee00517g
  34. Zevalkink Alex, Zeier Wolfgang G., Pomrehn Gregory, Schechtel Eugen, Tremel Wolfgang, Snyder G. Jeffrey, Thermoelectric properties of Sr3GaSb3 – a chain-forming Zintl compound, 10.1039/c2ee22378c
  35. Zevalkink Alex, Zeier Wolfgang G., Cheng Ethan, Snyder Jeffrey, Fleurial Jean-Pierre, Bux Sabah, Nonstoichiometry in the Zintl Phase Yb1−δZn2Sb2as a Route to Thermoelectric Optimization, 10.1021/cm502588r
  36. Pei Yanzhong, Gibbs Zachary M., Gloskovskii Andrei, Balke Benjamin, Zeier Wolfgang G., Snyder G. Jeffrey, Optimum Carrier Concentration in n-Type PbTe Thermoelectrics, 10.1002/aenm.201400486
  37. Goldsmid H. J., Thermoelectric Refrigeration, ISBN:9781489957252, 10.1007/978-1-4899-5723-8
  38. Burdett Jeremy K., From bonds to bands and molecules to solids, 10.1016/0079-6786(84)90002-5
  39. Hoffmann Roald, Die Begegnung von Chemie und Physik im Festkörper, 10.1002/ange.19870990907
  40. Canadell Enric., Whangbo Myung Hwan., Conceptual aspects of structure-property correlations and electronic instabilities, with applications to low-dimensional transition-metal oxides, 10.1021/cr00005a015
  41. Rohrer Gregory S., Structure and Bonding in Crystalline Materials, ISBN:9780511816116, 10.1017/cbo9780511816116
  42. Harrison W. A., Tight-binding theory of molecules and solids, 10.1351/pac198961122161
  43. Koopmans T, Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms, 10.1016/s0031-8914(34)90011-2
  44. Harrison Walter A., Coulomb interactions in semiconductors and insulators, 10.1103/physrevb.31.2121
  46. Cox, The Electronic Structure and Chemistry of Solids (1987)
  47. Slack, Handb. Thermoelectr., 407 (1995)
  48. Chadi D. J., Cohen M. L., Tight-binding calculations of the valence bands of diamond and zincblende crystals, 10.1002/pssb.2220680140
  49. Wang Heng, Wang Jianli, Cao Xianlong, Snyder G. Jeffrey, Thermoelectric alloys between PbSe and PbS with effective thermal conductivity reduction and high figure of merit, 10.1039/c3ta14929c
  50. Korkosz Rachel J., Chasapis Thomas C., Lo Shih-han, Doak Jeff W., Kim Yoon Jun, Wu Chun-I, Hatzikraniotis Euripidis, Hogan Timothy P., Seidman David N., Wolverton Chris, Dravid Vinayak P., Kanatzidis Mercouri G., High ZT in p-Type (PbTe)1–2x(PbSe)x(PbS)x Thermoelectric Materials, 10.1021/ja4121583
  51. Zeier Wolfgang G., Heinrich Christophe P., Day Tristan, Panithipongwut Chatr, Kieslich Gregor, Brunklaus Gunther, Snyder G. Jeffrey, Tremel Wolfgang, Bond strength dependent superionic phase transformation in the solid solution series Cu2ZnGeSe4−xSx, 10.1039/c3ta13007j
  52. Wang Heng, Cao Xianlong, Takagiwa Yoshiki, Snyder G. Jeffrey, Higher mobility in bulk semiconductors by separating the dopants from the charge-conducting band – a case study of thermoelectric PbSe, 10.1039/c5mh00021a
  53. Jaffe J. E., Zunger Alex, Theory of the band-gap anomaly inABC2chalcopyrite semiconductors, 10.1103/physrevb.29.1882
  54. Varshni Y.P., Temperature dependence of the energy gap in semiconductors, 10.1016/0031-8914(67)90062-6
  55. Gibbs Zachary M., Kim Hyoungchul, Wang Heng, White Robert L., Drymiotis Fivos, Kaviany Massoud, Jeffrey Snyder G., Temperature dependent band gap in PbX (X = S, Se, Te), 10.1063/1.4858195
  56. Syassen K., Christensen N. E., Winzen H., Fischer K., Evers J., Optical response and band-structure calculations of alkaline-earth tellurides under pressure, 10.1103/physrevb.35.4052
  57. Bozin E. S., Malliakas C. D., Souvatzis P., Proffen T., Spaldin N. A., Kanatzidis M. G., Billinge S. J. L., Entropically Stabilized Local Dipole Formation in Lead Chalcogenides, 10.1126/science.1192759
  58. Kastbjerg Sofie, Bindzus Niels, Søndergaard Martin, Johnsen Simon, Lock Nina, Christensen Mogens, Takata Masaki, Spackman Mark A., Brummerstedt Iversen Bo, Direct Evidence of Cation Disorder in Thermoelectric Lead Chalcogenides PbTe and PbS, 10.1002/adfm.201300722
  59. Schoop Leslie M., Müchler Lukas, Felser Claudia, Cava R. J., Lone Pair Effect, Structural Distortions, and Potential for Superconductivity in Tl Perovskites, 10.1021/ic400381g
  60. Miao Maosheng, Brgoch Jakoah, Krishnapriyan Aditi, Goldman Abby, Kurzman Joshua A., Seshadri Ram, On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs), 10.1021/ic400947p
  61. Spaldin Nicola A., Cheong Sang-Wook, Ramesh Ramamoorthy, Multiferroics: Past, present, and future, 10.1063/1.3502547
  62. Van Aken Bas B., Palstra Thomas T.M., Filippetti Alessio, Spaldin Nicola A., The origin of ferroelectricity in magnetoelectric YMnO3, 10.1038/nmat1080
  63. Walsh Aron, Payne David J., Egdell Russell G., Watson Graeme W., Stereochemistry of post-transition metal oxides: revision of the classical lone pair model, 10.1039/c1cs15098g
  64. Walsh Aron, Watson Graeme W., The origin of the stereochemically active Pb(II) lone pair: DFT calculations on PbO and PbS, 10.1016/j.jssc.2005.01.030
  65. Waghmare U. V., Spaldin N. A., Kandpal H. C., Seshadri Ram, First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb, 10.1103/physrevb.67.125111
  66. Guin Satya N., Srihari Velaga, Biswas Kanishka, Promising thermoelectric performance in n-type AgBiSe2: effect of aliovalent anion doping, 10.1039/c4ta04912h
  67. Kanatzidis Mercouri G., Chapter 3 The role of solid-state chemistry in the discovery of new thermoelectric materials, Recent Trends in Thermoelectric Materials Research I (2001) ISBN:9780127521787 p.51-100, 10.1016/s0080-8784(01)80149-6
  68. arXiv 2015 37831
  69. Parker David, Chen Xin, Singh David J., High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands, 10.1103/physrevlett.110.146601
  70. Chen Xin, Parker David, Singh David J., Importance of non-parabolic band effects in the thermoelectric properties of semiconductors, 10.1038/srep03168
  71. Mecholsky Nicholas A., Resca Lorenzo, Pegg Ian L., Fornari Marco, Theory of band warping and its effects on thermoelectronic transport properties, 10.1103/physrevb.89.155131
  72. Bilc Daniel I., Hautier Geoffroy, Waroquiers David, Rignanese Gian-Marco, Ghosez Philippe, Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States, 10.1103/physrevlett.114.136601
  73. Waghmare U. V., Spaldin N. A., Kandpal H. C., Seshadri Ram, First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb, 10.1103/physrevb.67.125111
  74. Brebrick R. F., Strauss A. J., Anomalous Thermoelectric Power as Evidence for Two-Valence Bands in SnTe, 10.1103/physrev.131.104
  75. Tan Gangjian, Shi Fengyuan, Doak Jeff W., Sun Hui, Zhao Li-Dong, Wang Pengli, Uher Ctirad, Wolverton Chris, Dravid Vinayak P., Kanatzidis Mercouri G., Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe, 10.1039/c4ee01463d
  76. Tan Gangjian, Zhao Li-Dong, Shi Fengyuan, Doak Jeff W., Lo Shih-Han, Sun Hui, Wolverton Chris, Dravid Vinayak P., Uher Ctirad, Kanatzidis Mercouri G., High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach, 10.1021/ja500860m
  77. Hautier Geoffroy, Miglio Anna, Ceder Gerbrand, Rignanese Gian-Marco, Gonze Xavier, Identification and design principles of low hole effective mass p-type transparent conducting oxides, 10.1038/ncomms3292
  78. Pei Yanzhong, LaLonde Aaron, Iwanaga Shiho, Snyder G. Jeffrey, High thermoelectric figure of merit in heavy hole dominated PbTe, 10.1039/c0ee00456a
  79. Jain Anubhav, Ong Shyue Ping, Hautier Geoffroy, Chen Wei, Richards William Davidson, Dacek Stephen, Cholia Shreyas, Gunter Dan, Skinner David, Ceder Gerbrand, Persson Kristin A., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, 10.1063/1.4812323
  80. Perdew John P., Burke Kieron, Ernzerhof Matthias, Generalized Gradient Approximation Made Simple, 10.1103/physrevlett.77.3865
  81. Pei Yanzhong, LaLonde Aaron D., Heinz Nicholas A., Shi Xiaoya, Iwanaga Shiho, Wang Heng, Chen Lidong, Snyder G. Jeffrey, Stabilizing the Optimal Carrier Concentration for High Thermoelectric Efficiency, 10.1002/adma.201103153
  82. Wang Heng, Gibbs Zachary M., Takagiwa Yoshiki, Snyder G. Jeffrey, Tuning bands of PbSe for better thermoelectric efficiency, 10.1039/c3ee43438a
  83. Lee Yeseul, Lo Shih-Han, Androulakis John, Wu Chun-I, Zhao Li-Dong, Chung Duck-Young, Hogan Timothy P., Dravid Vinayak P., Kanatzidis Mercouri G., High-Performance Tellurium-Free Thermoelectrics: All-Scale Hierarchical Structuring of p-Type PbSe–MSe Systems (M = Ca, Sr, Ba), 10.1021/ja400069s
  84. Zhao L. D., Wu H. J., Hao S. Q., Wu C. I., Zhou X. Y., Biswas K., He J. Q., Hogan T. P., Uher C., Wolverton C., Dravid V. P., Kanatzidis M. G., All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance, 10.1039/c3ee42187b
  85. Zhou Min, Gibbs Zachary M., Wang Heng, Han Yemao, Xin Caini, Li Laifeng, Snyder G. Jeffrey, Optimization of thermoelectric efficiency in SnTe: the case for the light band, 10.1039/c4cp02091j
  86. Zhu Hong, Sun Wenhao, Armiento Rickard, Lazic Predrag, Ceder Gerbrand, Band structure engineering through orbital interaction for enhanced thermoelectric power factor, 10.1063/1.4866861
  87. Zhang Jiawei, Liu Ruiheng, Cheng Nian, Zhang Yubo, Yang Jihui, Uher Ctirad, Shi Xun, Chen Lidong, Zhang Wenqing, High-Performance Pseudocubic Thermoelectric Materials from Non-cubic Chalcopyrite Compounds, 10.1002/adma.201400058
  88. Zeier Wolfgang G., Zhu Hong, Gibbs Zachary M., Ceder Gerbrand, Tremel Wolfgang, Snyder G. Jeffrey, Band convergence in the non-cubic chalcopyrite compounds Cu2MGeSe4, 10.1039/c4tc02218a
  89. Liu Wei, Tan Xiaojian, Yin Kang, Liu Huijun, Tang Xinfeng, Shi Jing, Zhang Qingjie, Uher Ctirad, Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance ofn-TypeMg2Si1−xSnxSolid Solutions, 10.1103/physrevlett.108.166601
  90. Zaitsev, Sov. Phys. Solid State, 11, 221 (1969)
  91. Kim Hyun-Sik, Gibbs Zachary M., Tang Yinglu, Wang Heng, Snyder G. Jeffrey, Characterization of Lorenz number with Seebeck coefficient measurement, 10.1063/1.4908244
  92. Liebfried, Nachr. Akad. Wiss. Göttingen Math. Phys. Kl., 4, 71 (1954)
  93. Slack G.A., Nonmetallic crystals with high thermal conductivity, 10.1016/0022-3697(73)90092-9
  94. Klemens, Thermal Conductivity (1969)
  95. Julian Carl L., Theory of Heat Conduction in Rare-Gas Crystals, 10.1103/physrev.137.a128
  96. Toberer Eric S., Zevalkink Alex, Snyder G. Jeffrey, Phonon engineering through crystal chemistry, 10.1039/c1jm11754h
  97. May, Thermoelectrics Handbook: Thermoelectrics and its Energy Harvesting (2012)
  98. Ioffe, Sov. Phys. Solid State, 5, 2446 (1963)
  99. Spitzer D.P., Lattice thermal conductivity of semiconductors: A chemical bond approach, 10.1016/0022-3697(70)90284-2
  100. Yang, Therm. Conduct. Prop. Appl., 1 (2004)
  101. Garbato L., Rucci A., Ionicity dependence of lattice thermal conductivity in tetrahedral semiconductors, 10.1016/0009-2614(79)87168-7
  102. 2005
  103. Khattak Gul Dad, Akbarzadeh H., Keesom P. H., Specific heats of mercury chalcogenides and HgI2between 0.4 and 50 K, 10.1103/physrevb.23.2911
  104. Slack, Solid State Physics (1979)
  105. Cohen Marvin L., Calculation of bulk moduli of diamond and zinc-blende solids, 10.1103/physrevb.32.7988
  106. Parkinson D H, Quarrington J E, The Molar Heats of Lead Sulphide, Selenide and Telluride in the Temperature Range 20 K to 260 K, 10.1088/0370-1298/67/7/301
  107. Wang Heng, Pei Yanzhong, LaLonde Aaron D., Snyder G. Jeffrey, Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe, 10.1002/adma.201004200
  108. Maycock P.D., Thermal conductivity of silicon, germanium, III–V compounds and III–V alloys, 10.1016/0038-1101(67)90069-x
  109. Steigmeier E. F., Kudman I., Thermal Conductivity of III-V Compounds at High Temperatures, 10.1103/physrev.132.508
  110. Steigmeier E. F., Kudman I., Acoustical-Optical Phonon Scattering in Ge, Si, and III-V Compounds, 10.1103/physrev.141.767
  111. Steigmeier E. F., Abeles B., Scattering of Phonons by Electrons in Germanium-Silicon Alloys, 10.1103/physrev.136.a1149
  112. Holland M. G., Phonon Scattering in Semiconductors From Thermal Conductivity Studies, 10.1103/physrev.134.a471
  113. Ioffe, Sov. Phys. Solid State, 2, 719 (1960)
  114. Zaslavskii, Sov. Phys. Semicond., 2, 2565 (1961)
  115. Weiß H., Thermospannung und Wärmeleitung von III—V-Verbindungen und ihren Mischkristallen, 10.1002/andp.19594590116
  116. Amith A., Kudman I., Steigmeier E. F., Electron and Phonon Scattering in GaAs at High Temperatures, 10.1103/physrev.138.a1270
  117. Gavrilitsa E. I., Radautsan S. I., Influence of Ordering on the Properties of Solid Solutions of the System (HgSe)3x-(In2Se3)1−x, 10.1002/pssb.19670190213
  118. Carlson R. O., Electrical Properties of Mercury Telluride, 10.1103/physrev.111.476
  119. Kudman I., Steigmeier E. F., Thermal Conductivity and Seebeck Coefficient of InP, 10.1103/physrev.133.a1665
  120. Busch, Helv. Phys. Acta, 34, 1 (1961)
  121. Rosi, RCA Rev., 22, 82 (1961)
  122. Devyatkova, Sov. Phys. Solid State, 6, 343 (1964)
  123. Hamilton R.A.H., Parrott J.E., Calculation of room temperature lattice thermal conductivity of several materials using a continuum model, 10.1016/0375-9601(69)90436-8
  124. Xu Bo, Wang Qianqian, Tian Yongjun, Bulk modulus for polar covalent crystals, 10.1038/srep03068
  125. Gibbs G. V., Hill F. C., Boisen M. B., Downs R. T., Power law relationships between bond length, bond strength and electron density distributions, 10.1007/s002690050151
  126. Grochala Wojciech, Hoffmann Roald, Feng Ji, Ashcroft Neil W., The Chemical Imagination at Work inVery Tight Places, 10.1002/anie.200602485
  127. Grochala Wojciech, Hoffmann Roald, Feng Ji, Ashcroft Neil W., Chemie unter höchsten Drücken: eine Herausforderung für die chemische Intuition, 10.1002/ange.200602485
  128. Brown I. D., Shannon R. D., Empirical bond-strength–bond-length curves for oxides, 10.1107/s0567739473000689
  129. Dudkin, Dokl. Akad. Nauk SSSR, 124, 94 (1959)
  130. Gasson D.B., Holmes P.J., Jennings I.C., Marathe B.R., Parrott J.E., The properties of ZnSnAs2 and CdSnAs2, 10.1016/0022-3697(62)90174-9
  131. Hockings E.F., The thermal conductivity of silver antimony telluride, 10.1016/0022-3697(59)90014-9
  132. Masumoto K., Isomura S., Goto W., The preparation and properties of ZnSiAs2, ZnGeP2 and CdGeP2 semiconducting compounds, 10.1016/0022-3697(66)90124-7
  133. Petrov, Sov. Phys. Solid State, 4, 1061 (1962)
  134. Rosi F. D., Dismukes J. P., Hockings E. F., Semiconductor materials for thermoelectric power generation up to 700 C, 10.1109/ee.1960.6432651
  135. Zalar, Trans. AIME, 224, 436 (1962)
  136. Gummow R. J., Sigalas I., Temperature and pressure effects on the thermal conductivity of TlCl and TlBr, 10.1007/bf00503646
  137. Keyes Robert W., High-Temperature Thermal Conductivity of Insulating Crystals: Relationship to the Melting Point, 10.1103/physrev.115.564
  138. Lee, Nat. Commun., 5, 3525 (2014)
  140. Hawthorne F. C., Structural aspects of oxide and oxysalt crystals, 10.1107/s0108768193014466
  141. MacDonald D. K. C., Roy S. K., Vibrational Anharmonicity and Lattice Thermal Properties. II, 10.1103/physrev.97.673
  142. Yan Jun, Gorai Prashun, Ortiz Brenden, Miller Sam, Barnett Scott A., Mason Thomas, Stevanović Vladan, Toberer Eric S., Material descriptors for predicting thermoelectric performance, 10.1039/c4ee03157a
  143. Morelli D. T., Jovovic V., Heremans J. P., Intrinsically Minimal Thermal Conductivity in CubicI−V−VI2Semiconductors, 10.1103/physrevlett.101.035901
  144. Nielsen Michele D., Ozolins Vidvuds, Heremans Joseph P., Lone pair electrons minimize lattice thermal conductivity, 10.1039/c2ee23391f
  145. Skoug Eric J., Morelli Donald T., Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds, 10.1103/physrevlett.107.235901
  146. Lai Wei, Wang Yuxing, Morelli Donald T., Lu Xu, From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely, 10.1002/adfm.201500766
  147. Zhang Yongsheng, Skoug Eric, Cain Jeffrey, Ozoliņš Vidvuds, Morelli Donald, Wolverton C., First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors, 10.1103/physrevb.85.054306
  148. Zhao Li-Dong, Lo Shih-Han, Zhang Yongsheng, Sun Hui, Tan Gangjian, Uher Ctirad, Wolverton C., Dravid Vinayak P., Kanatzidis Mercouri G., Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals, 10.1038/nature13184
  149. Zhao L.-D., Tan G., Hao S., He J., Pei Y., Chi H., Wang H., Gong S., Xu H., Dravid V. P., Uher C., Snyder G. J., Wolverton C., Kanatzidis M. G., Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe, 10.1126/science.aad3749
  150. Johnsen Simon, He Jiaqing, Androulakis John, Dravid Vinayak P., Todorov Iliya, Chung Duck. Y., Kanatzidis Mercouri G., Nanostructures Boost the Thermoelectric Performance of PbS, 10.1021/ja109138p
  151. Pei Yanzhong, Heinz Nicholas A., LaLonde Aaron, Snyder G. Jeffrey, Combination of large nanostructures and complex band structure for high performance thermoelectric lead telluride, 10.1039/c1ee01928g
  152. Poudeu Pierre F. P., D'Angelo Jonathan, Downey Adam D., Short Jarrod L., Hogan Timothy P., Kanatzidis Mercouri G., High Thermoelectric Figure of Merit and Nanostructuring in Bulk p-type Na1−xPbmSbyTem+2, 10.1002/anie.200600865
  153. Poudeu Pierre F. P., D'Angelo Jonathan, Downey Adam D., Short Jarrod L., Hogan Timothy P., Kanatzidis Mercouri G., High Thermoelectric Figure of Merit and Nanostructuring in Bulk p-type Na1−xPbmSbyTem+2, 10.1002/ange.200600865
  154. Zebarjadi M., Esfarjani K., Dresselhaus M. S., Ren Z. F., Chen G., Perspectives on thermoelectrics: from fundamentals to device applications, 10.1039/c1ee02497c
  155. Zeier Wolfgang G., LaLonde Aaron, Gibbs Zachary M., Heinrich Christophe P., Panthöfer Martin, Snyder G. Jeffrey, Tremel Wolfgang, Influence of a Nano Phase Segregation on the Thermoelectric Properties of the p-Type Doped Stannite Compound Cu2+xZn1–xGeSe4, 10.1021/ja301452j
  156. Zeier Wolfgang G., Zevalkink Alex, Schechtel Eugen, Tremel Wolfgang, Snyder G. Jeffrey, Thermoelectric properties of Zn-doped Ca3AlSb3, 10.1039/c2jm31324c
  157. Kieslich Gregor, Veremchuk Igor, Antonyshyn Iryna, Zeier Wolfgang G., Birkel Christina S., Weldert Kai, Heinrich Christophe P., Visnow Eduard, Panthöfer Martin, Burkhardt Ulrich, Grin Yuri, Tremel Wolfgang, Using crystallographic shear to reduce lattice thermal conductivity: high temperature thermoelectric characterization of the spark plasma sintered Magnéli phases WO2.90 and WO2.722, 10.1039/c3cp52361f
  158. Callaway Joseph, von Baeyer Hans C., Effect of Point Imperfections on Lattice Thermal Conductivity, 10.1103/physrev.120.1149
  159. Callaway Joseph, Model for Lattice Thermal Conductivity at Low Temperatures, 10.1103/physrev.113.1046
  160. Yang J., Meisner G. P., Chen L., Strain field fluctuation effects on lattice thermal conductivity of ZrNiSn-based thermoelectric compounds, 10.1063/1.1783022
  161. Zhou Zhenhua, Uher Ctirad, Jewell April, Caillat Thierry, Influence of point-defect scattering on the lattice thermal conductivity of solid solutionCo(Sb1−xAsx)3, 10.1103/physrevb.71.235209
  162. Meisner G. P., Morelli D. T., Hu S., Yang J., Uher C., Structure and Lattice Thermal Conductivity of Fractionally Filled Skutterudites: Solid Solutions of Fully Filled and Unfilled End Members, 10.1103/physrevlett.80.3551
  163. Alekseeva, Sov. Phys. Semicond., 4, 1122 (1971)
  164. Abeles B., Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures, 10.1103/physrev.131.1906
  165. Ortiz Brenden R., Peng Haowei, Lopez Armando, Parilla Philip A., Lany Stephan, Toberer Eric S., Effect of extended strain fields on point defect phonon scattering in thermoelectric materials, 10.1039/c5cp02174j
  166. Klemens P G, The Scattering of Low-Frequency Lattice Waves by Static Imperfections, 10.1088/0370-1298/68/12/303
  167. Gascoin F., Ottensmann S., Stark D., Haïle S. M., Snyder G. J., Zintl Phases as Thermoelectric Materials: Tuned Transport Properties of the Compounds CaxYb1-xZn2Sb2, 10.1002/adfm.200500043
  168. Toberer Eric S., May Andrew F., Melot Brent C., Flage-Larsen Espen, Snyder G. Jeffrey, Electronic structure and transport in thermoelectric compounds AZn2Sb2 (A = Sr, Ca, Yb, Eu), 10.1039/b914172c
  169. Heinrich Christophe P., Day Tristan W., Zeier Wolfgang G., Snyder G. Jeffrey, Tremel Wolfgang, Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4–xSx Series of Solid Solutions, 10.1021/ja410753k
  170. Wang Heng, Wang Jianli, Cao Xianlong, Snyder G. Jeffrey, Thermoelectric alloys between PbSe and PbS with effective thermal conductivity reduction and high figure of merit, 10.1039/c3ta14929c
  171. Zeier Wolfgang G., Pei Yanzhong, Pomrehn Gregory, Day Tristan, Heinz Nicholas, Heinrich Christophe P., Snyder G. Jeffrey, Tremel Wolfgang, Phonon Scattering through a Local Anisotropic Structural Disorder in the Thermoelectric Solid Solution Cu2Zn1–xFexGeSe4, 10.1021/ja308627v
  172. Li Yulong, Zhang Tiansong, Qin Yuting, Day Tristan, Jeffrey Snyder G., Shi Xun, Chen Lidong, Thermoelectric transport properties of diamond-like Cu1−xFe1+xS2 tetrahedral compounds, 10.1063/1.4902849
  173. de Boer P. K., de Groot R. A., The origin of the conduction band in table salt, 10.1119/1.19282