Hiroyuki Akinaga is the Principal Research Manager at the Device Technology Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Japan.Atsuko Kosuga is an associate professor at Osaka Metropolitan University, Japan.Takao Mori is a Deputy Director of WPI-MANA at the National Institute for Materials Science (NIMS) and is also a professor at the Graduate School of Pure and Applied Sciences, University of Tsukuba, Japan.Gustavo Ardila is an associate professor at Grenoble Alpes University and a researcher at IMEP – LaHC, France.

• Preface ixHiroyuki AKINAGA, Atsuko KOSUGA and Takao MORIPart 1 Introduction to Materials Development 1Chapter 1 Strategies for Development of High Performance Thermoelectric Materials 3Takao MORI, Atsuko KOSUGA and Hiroyuki AKINAGA1.1 Introduction 31.2 Selectively lowering the thermal conductivity 51.2.1 Utilizing nanostructuring and defects 51.2.2 Utilizing crystal structure and bonding 71.3 Enhancing the Seebeck coefficient/power factor 81.4 Outlook for materials development 111.5 References 12Chapter 2 Computational and Data-Driven Development of Thermoelectric Materials 17Prashun GORAI and Michael TORIYAMA2.1 General theory 182.1.1 Boltzmann transport theory 192.1.2 Relaxation time approximation 202.1.3 Thermoelectric properties 212.1.4 Defect theory 242.2 Applications 262.2.1 Transport calculations 262.2.2 Defect and doping calculations 402.2.3 Thermoelectric material search with high-throughput computations and machine learning 452.3 Outlook 512.4 References 52Part 2 Thermoelectric Materials 71Chapter 3 Thermoelectric Copper and Silver Chalcogenides 73Holger KLEINKE3.1 Introduction 733.2 Binary copper and silver chalcogenides 753.3 Ternary and higher copper and silver chalcogenides 783.3.1 Minerals based on copper and silver chalcogenides 783.3.2 Tl-containing copper and silver chalcogenides 793.3.3 Ba-containing copper and silver chalcogenides 793.4 Conclusion 843.5 Acknowledgments 853.6 References 85Chapter 4 Sulfide Thermoelectrics: Materials and Modules 93Michihiro OHTA, Priyanka JOOD and Kazuki IMASATO4.1 Introduction 934.2 Materials 944.2.1 Rare-earth sulfides 944.2.2 Layered sulfides 974.2.3 Pb–Bi–S-based systems 994.2.4 Cu and Ag sulfide-based superionic conductors 1014.2.5 Tetrahedrites and colusites 1034.2.6 Chevrel-phase sulfides 1054.2.7 Chalcopyrite 1064.3 Modules 1074.3.1 Colusites 1074.3.2 Cu and Ag sulfide-based superionic conductors 1084.4 Summary and prospects 1104.5 References 110Chapter 5 A Concise Review of Strongly Correlated Oxides 125Ichiro TERASAKI5.1 Introduction to electron correlation 1255.2 Electronic states of transition-metal oxides 1295.3 3D transition-metal oxides 1305.3.1 Co oxides 1315.3.2 Cu oxides 1355.3.3 Other 3D transition-metal oxides 1365.4 4D transition-metal oxides 1365.4.1 Rh oxides 1375.4.2 Ru oxides 1395.5 Concluding remarks 1395.6 References 140Chapter 6 Nanocarbon Materials as Thermoelectric Generators 149Tsuyohiko FUJIGAYA and Yoshiyuki NONOGUCHI6.1 Introduction 1496.2 Carbon nanotubes 1506.3 Transport to materials studies 1516.4 Chemical doping 1566.5 Thermoelectric generators using CNT 1626.6 TEG based on CNT sheet 1636.7 TEG fabrication based on CNT-based ink 1696.8 CNT yarn and their fabric 1726.9 Conclusion 1756.10 References 176Part 3 Metrology of Thermal Properties 181Chapter 7 Precise Measurement of the Absolute Seebeck Coefficient from the Thomson Effect 183Yasutaka AMAGAI7.1 Introduction 1837.2 Absolute scale of thermoelectricity 1857.3 Measurement methods of the Thomson effect 1897.3.1 Conventional method 1907.3.2 New measurement methods: AC–DC method 1927.4 Summary and outlook 1957.5 References 196Chapter 8 Thermal Diffusivity Measurement of Thin Films by Ultrafast Laser Flash Method 201Tetsuya BABA, Takahiro BABA and Takao MORI8.1 Introduction 2018.2 Laser flash method and ultrafast laser flash method 2038.2.1 Laser flash method 2038.2.2 Ultrafast laser flash method 2058.3 Basic equation for data analysis 2098.3.1 Response function method 2098.3.2 Uniform single layer 2128.3.3 Quadruple matrix 2128.3.4 Thin film/substrate model 2138.3.5 Temperature response after periodic pulse heating 2168.4 Analysis of observed temperature response 2228.4.1 Picosecond pulsed light heating 2228.4.2 Nanosecond pulsed light heating 2248.5 Metrological standard and traceability for measurements of thin film thermophysical properties 2248.6 Application of measurement from industrial to basic physics 2258.7 References 226List of Authors 233Index 235Summary of Volume 2 239

Hiroyuki Akinaga is the Principal Research Manager at the Device Technology Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Japan.Atsuko Kosuga is an associate professor at Osaka Metropolitan University, Japan.Takao Mori is a Deputy Director of WPI-MANA at the National Institute for Materials Science (NIMS) and is also a professor at the Graduate School of Pure and Applied Sciences, University of Tsukuba, Japan.Gustavo Ardila is an associate professor at Grenoble Alpes University and a researcher at IMEP – LaHC, France.

• Preface ixHiroyuki AKINAGA, Atsuko KOSUGA and Takao MORIPart 1 Introduction to Materials Development 1Chapter 1 Strategies for Development of High Performance Thermoelectric Materials 3Takao MORI, Atsuko KOSUGA and Hiroyuki AKINAGA1.1 Introduction 31.2 Selectively lowering the thermal conductivity 51.2.1 Utilizing nanostructuring and defects 51.2.2 Utilizing crystal structure and bonding 71.3 Enhancing the Seebeck coefficient/power factor 81.4 Outlook for materials development 111.5 References 12Chapter 2 Computational and Data-Driven Development of Thermoelectric Materials 17Prashun GORAI and Michael TORIYAMA2.1 General theory 182.1.1 Boltzmann transport theory 192.1.2 Relaxation time approximation 202.1.3 Thermoelectric properties 212.1.4 Defect theory 242.2 Applications 262.2.1 Transport calculations 262.2.2 Defect and doping calculations 402.2.3 Thermoelectric material search with high-throughput computations and machine learning 452.3 Outlook 512.4 References 52Part 2 Thermoelectric Materials 71Chapter 3 Thermoelectric Copper and Silver Chalcogenides 73Holger KLEINKE3.1 Introduction 733.2 Binary copper and silver chalcogenides 753.3 Ternary and higher copper and silver chalcogenides 783.3.1 Minerals based on copper and silver chalcogenides 783.3.2 Tl-containing copper and silver chalcogenides 793.3.3 Ba-containing copper and silver chalcogenides 793.4 Conclusion 843.5 Acknowledgments 853.6 References 85Chapter 4 Sulfide Thermoelectrics: Materials and Modules 93Michihiro OHTA, Priyanka JOOD and Kazuki IMASATO4.1 Introduction 934.2 Materials 944.2.1 Rare-earth sulfides 944.2.2 Layered sulfides 974.2.3 Pb–Bi–S-based systems 994.2.4 Cu and Ag sulfide-based superionic conductors 1014.2.5 Tetrahedrites and colusites 1034.2.6 Chevrel-phase sulfides 1054.2.7 Chalcopyrite 1064.3 Modules 1074.3.1 Colusites 1074.3.2 Cu and Ag sulfide-based superionic conductors 1084.4 Summary and prospects 1104.5 References 110Chapter 5 A Concise Review of Strongly Correlated Oxides 125Ichiro TERASAKI5.1 Introduction to electron correlation 1255.2 Electronic states of transition-metal oxides 1295.3 3D transition-metal oxides 1305.3.1 Co oxides 1315.3.2 Cu oxides 1355.3.3 Other 3D transition-metal oxides 1365.4 4D transition-metal oxides 1365.4.1 Rh oxides 1375.4.2 Ru oxides 1395.5 Concluding remarks 1395.6 References 140Chapter 6 Nanocarbon Materials as Thermoelectric Generators 149Tsuyohiko FUJIGAYA and Yoshiyuki NONOGUCHI6.1 Introduction 1496.2 Carbon nanotubes 1506.3 Transport to materials studies 1516.4 Chemical doping 1566.5 Thermoelectric generators using CNT 1626.6 TEG based on CNT sheet 1636.7 TEG fabrication based on CNT-based ink 1696.8 CNT yarn and their fabric 1726.9 Conclusion 1756.10 References 176Part 3 Metrology of Thermal Properties 181Chapter 7 Precise Measurement of the Absolute Seebeck Coefficient from the Thomson Effect 183Yasutaka AMAGAI7.1 Introduction 1837.2 Absolute scale of thermoelectricity 1857.3 Measurement methods of the Thomson effect 1897.3.1 Conventional method 1907.3.2 New measurement methods: AC–DC method 1927.4 Summary and outlook 1957.5 References 196Chapter 8 Thermal Diffusivity Measurement of Thin Films by Ultrafast Laser Flash Method 201Tetsuya BABA, Takahiro BABA and Takao MORI8.1 Introduction 2018.2 Laser flash method and ultrafast laser flash method 2038.2.1 Laser flash method 2038.2.2 Ultrafast laser flash method 2058.3 Basic equation for data analysis 2098.3.1 Response function method 2098.3.2 Uniform single layer 2128.3.3 Quadruple matrix 2128.3.4 Thin film/substrate model 2138.3.5 Temperature response after periodic pulse heating 2168.4 Analysis of observed temperature response 2228.4.1 Picosecond pulsed light heating 2228.4.2 Nanosecond pulsed light heating 2248.5 Metrological standard and traceability for measurements of thin film thermophysical properties 2248.6 Application of measurement from industrial to basic physics 2258.7 References 226List of Authors 233Index 235Summary of Volume 2 239

Hiroyuki Akinaga is the Principal Research Manager at the Device Technology Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Japan.Atsuko Kosuga is an associate professor at Osaka Metropolitan University, Japan.Takao Mori is a Deputy Director of WPI-MANA at the National Institute for Materials Science (NIMS) and is also a professor at the Graduate School of Pure and Applied Sciences, University of Tsukuba, Japan.Gustavo Ardila is an associate professor at Grenoble Alpes University and a researcher at IMEP – LaHC, France.

• Preface ixHiroyuki AKINAGA, Atsuko KOSUGA and Takao MORIPart 1 Introduction to Materials Development 1Chapter 1 Strategies for Development of High Performance Thermoelectric Materials 3Takao MORI, Atsuko KOSUGA and Hiroyuki AKINAGA1.1 Introduction 31.2 Selectively lowering the thermal conductivity 51.2.1 Utilizing nanostructuring and defects 51.2.2 Utilizing crystal structure and bonding 71.3 Enhancing the Seebeck coefficient/power factor 81.4 Outlook for materials development 111.5 References 12Chapter 2 Computational and Data-Driven Development of Thermoelectric Materials 17Prashun GORAI and Michael TORIYAMA2.1 General theory 182.1.1 Boltzmann transport theory 192.1.2 Relaxation time approximation 202.1.3 Thermoelectric properties 212.1.4 Defect theory 242.2 Applications 262.2.1 Transport calculations 262.2.2 Defect and doping calculations 402.2.3 Thermoelectric material search with high-throughput computations and machine learning 452.3 Outlook 512.4 References 52Part 2 Thermoelectric Materials 71Chapter 3 Thermoelectric Copper and Silver Chalcogenides 73Holger KLEINKE3.1 Introduction 733.2 Binary copper and silver chalcogenides 753.3 Ternary and higher copper and silver chalcogenides 783.3.1 Minerals based on copper and silver chalcogenides 783.3.2 Tl-containing copper and silver chalcogenides 793.3.3 Ba-containing copper and silver chalcogenides 793.4 Conclusion 843.5 Acknowledgments 853.6 References 85Chapter 4 Sulfide Thermoelectrics: Materials and Modules 93Michihiro OHTA, Priyanka JOOD and Kazuki IMASATO4.1 Introduction 934.2 Materials 944.2.1 Rare-earth sulfides 944.2.2 Layered sulfides 974.2.3 Pb–Bi–S-based systems 994.2.4 Cu and Ag sulfide-based superionic conductors 1014.2.5 Tetrahedrites and colusites 1034.2.6 Chevrel-phase sulfides 1054.2.7 Chalcopyrite 1064.3 Modules 1074.3.1 Colusites 1074.3.2 Cu and Ag sulfide-based superionic conductors 1084.4 Summary and prospects 1104.5 References 110Chapter 5 A Concise Review of Strongly Correlated Oxides 125Ichiro TERASAKI5.1 Introduction to electron correlation 1255.2 Electronic states of transition-metal oxides 1295.3 3D transition-metal oxides 1305.3.1 Co oxides 1315.3.2 Cu oxides 1355.3.3 Other 3D transition-metal oxides 1365.4 4D transition-metal oxides 1365.4.1 Rh oxides 1375.4.2 Ru oxides 1395.5 Concluding remarks 1395.6 References 140Chapter 6 Nanocarbon Materials as Thermoelectric Generators 149Tsuyohiko FUJIGAYA and Yoshiyuki NONOGUCHI6.1 Introduction 1496.2 Carbon nanotubes 1506.3 Transport to materials studies 1516.4 Chemical doping 1566.5 Thermoelectric generators using CNT 1626.6 TEG based on CNT sheet 1636.7 TEG fabrication based on CNT-based ink 1696.8 CNT yarn and their fabric 1726.9 Conclusion 1756.10 References 176Part 3 Metrology of Thermal Properties 181Chapter 7 Precise Measurement of the Absolute Seebeck Coefficient from the Thomson Effect 183Yasutaka AMAGAI7.1 Introduction 1837.2 Absolute scale of thermoelectricity 1857.3 Measurement methods of the Thomson effect 1897.3.1 Conventional method 1907.3.2 New measurement methods: AC–DC method 1927.4 Summary and outlook 1957.5 References 196Chapter 8 Thermal Diffusivity Measurement of Thin Films by Ultrafast Laser Flash Method 201Tetsuya BABA, Takahiro BABA and Takao MORI8.1 Introduction 2018.2 Laser flash method and ultrafast laser flash method 2038.2.1 Laser flash method 2038.2.2 Ultrafast laser flash method 2058.3 Basic equation for data analysis 2098.3.1 Response function method 2098.3.2 Uniform single layer 2128.3.3 Quadruple matrix 2128.3.4 Thin film/substrate model 2138.3.5 Temperature response after periodic pulse heating 2168.4 Analysis of observed temperature response 2228.4.1 Picosecond pulsed light heating 2228.4.2 Nanosecond pulsed light heating 2248.5 Metrological standard and traceability for measurements of thin film thermophysical properties 2248.6 Application of measurement from industrial to basic physics 2258.7 References 226List of Authors 233Index 235Summary of Volume 2 239