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小矢野研究室

Creation of novel thermoelectric materials by combining experiment and theory

KOYANO Laboratory
Senior Lecturer:MIYATA Masanobu

E-mail:E-mai
[Research areas]
Thermoelectricity, Solid state physics
[Keywords]
Experiment, First-principles calculation, Thermoelectric materials, Electron and phonon transport properties

Skills and background we are looking for in prospective students

Solid state physics is the main focus in research, but students are welcome from any field, including biology, chemistry and physics. As well as a health care, research activities require basic knowledge of solid state physics, quantum mechanics, applied condensed matter mathematics and Linux, which will be studied after enrolment.

What you can expect to learn in this laboratory

Our laboratory aims to create new thermoelectric materials with environmentally-friendly by concerted use of computational science and experimentation. By discussing the results of these research activities in weekly meetings and presenting them at the Japan Society of Applied Physics, the Thermoelectrics Society of Japan and international conferences, students acquire (1) basic skills in solid state physics involving experimental and theoretical calculations, (2) thinking and research promotion skills necessary as researchers, and (3) presentation skills to output their own results to the outside.

【Job category of graduates】 Manufacturing industry

Research outline

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Thermoelectric generation

Starting with the Sustainable Development Goals (SDGs), carbon neutrality, and zero emissions are being made worldwide with the goal of building a sustainable society. Thermoelectric conversion is the only physical phenomenon that can directly interconvert thermal and electrical energy. Currently, the most widely applied thermoelectric material is Bi-Te thermoelectric material, but tellurium Te is rare same as that of platinum Pt. Our laboratory is mainly focusing on sulfide and phosphide thermoelectric materials as Te-free thermoelectric materials.

  1. Search for environmentally friendly thermoelectric materials using computational science
    We are searching for candidate thermoelectric materials through high-throughput calculations that predict the thermoelectric performance of many crystal structures from electron and phonon transport calculations based on first-principles calculations, using a calculation scheme specifically designed for thermoelectric materials.
  2. Experimental synthesis, structural analysis, and characterization of thermoelectric materials
    We actually synthesize the candidate materials selected by calculation in experiments, and conduct structural evaluation and measurement of physical properties by ourselves. We use various synthesis methods to synthesize materials. Physical properties are evaluated over a wide temperature range of approximately -270 to +400°C.
  3. Elucidation of Electron and Phonon Transport Mechanisms and Material Design by Combining Experiments and Calculations
    In practice, there are many cases where the thermoelectric performance predicted from calculations differs from experimental values. By analyzing such differences between calculations and experiments in detail, we clarify new physical origins that could not be determined by either calculations or experiments alone, and establish material design guidelines for new thermoelectric materials through the fusion of experiments and theory.

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High-throughput calculation, Band structure, Single crystals

Key publications

  1. Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity, M. Miyata and M. Koyano, Materials Research Express 9(5), 055901-055914 (2022).
  2. Anharmonic vibration of Ag atom in low lattice thermal conductivity chain structure phosphide Ag3SnP7, M. Miyata, Journal of Applied Physics 130, 035104-035112 (2021). [Editor’s pick]
  3. High-Throughput Screening of Sulfide Thermoelectric Materials Using Electron Transport Calculations with OpenMX and BoltzTraP, M. Miyata, T. Ozaki, T. Takeuchi, S. Nishino, M. Inukai, and M. Koyano, Journal of Electronic Materials, 47(6), 3254-3259, 2018.

Equipment

Supercomputer KAGAYAKI
Physical Property Measurement System PPMS (measurement of thermoelectric properties and Hall effect)
High temperature thermoelectric property evaluation system RZ2001i
High energy ball mill equipment

Teaching policy

In this laboratory, we aim to promote comprehensive research, from experiments to theory, with a focus on thermoelectric conversion, and to help students acquire the skills necessary to lead research and development projects as leaders in the future. At the same time, we hold regular meetings to help students manage their physical condition and achieve a physical and mental balance on their own, which is often neglected, and support them to lead a regular life.
Experiments, calculations, or those who are greedy and want to do both experiments and calculations are welcome!

[Website] URL:http://www.jaist.ac.jp/ms/labs/kotai/koyano/index.html

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