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Physical Properties and Functional Design Lab
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The lab theoretically designs material properties and new functions using computers.

AboutAbout the lab
Uncovering and designing material properties through computation.
The Physical Properties and Functional Design Lab theoretically studies quantum physical phenomena in materials used in information devices, such as semiconductors and magnetic materials, and designs new functions for them.
The lab also aims to establish new methods for designing the properties and functions of materials using large-scale simulation techniques.
In Professor Shirai's area, the lab carries out theoretical analysis of materials and devices for spintronics; in Associate Professor Abe's area, it studies the properties of matter that appear in high-density regimes.
The lab belongs to the Computing Systems Research Division of the Research Institute of Electrical Communication.
Key terms
- Spintronics
- A research field aiming at new devices that use both the electric charge of electrons and their magnetic property (spin)
- First-principles calculation
- A method of computing the properties of a material on a computer from the fundamental laws governing its atoms and electrons, without relying on experimental values
- Magnetic tunnel junction
- A structure in which an extremely thin insulator is sandwiched between two magnetic materials. How easily electricity flows changes depending on the directions of the magnets
- Superconductivity
- A phenomenon in which a material's electrical resistance drops to zero, for example when it is cooled
ResearchResearch themes
Modern information devices use a wide variety of materials, such as semiconductors and magnetic materials, to process, transmit, and record large amounts of information. The lab aims to theoretically clarify the quantum physical phenomena in materials and nanostructures that form the foundation of next-generation devices, and to theoretically design materials and structures with new functions.
*Illustrative imageElectrical Conduction in Spintronics Materials and Materials Search
The lab theoretically analyzes the spin-dependent electrical conduction of highly spin-polarized materials and of device structures that use them. Recent work includes searching for electrode materials for magnetic tunnel junctions by combining first-principles calculations with machine learning, and theoretical studies of thermoelectric properties arising from topological electronic structures.
*Illustrative imagePhysical Properties and Structure Search of High-Density Matter
The lab uses first-principles methods to explore the unusual properties that appear in high-density regimes. Its recent research focuses on high-pressure metallic phases of hydrogen compounds, in which high-temperature superconductivity based on electron-phonon interaction has been observed experimentally, and it is also developing structure search methods based on first-principles calculations.
MembersFaculty
- ProfessorMasafumi Shirai
- Associate ProfessorKazutaka Abe
- Assistant ProfessorMasahito Tsujikawa
VoicesStudent voices
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Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “Athena supercomputer cluster” NASA / Public domain (cropped)
- Electrical Conduction in Spintronics Materials and Materials Search: “MTJ with Transparent Background” OJB Quantum / CC BY 4.0 (cropped)
- Physical Properties and Structure Search of High-Density Matter: “DiamondAnvilCell 003” National Institute of Standards and Technology / Public domain (cropped)
- Related lab (Solid-State Electronics Lab): “Wafer - 2” Windell Oskay / CC BY 2.0 (cropped)
- Related lab (Takahashi Lab): “FZU MBE Veeco PJachimova 24” Akademie věd České republiky / Czech Academy of Sciences (Pavlína Jáchimová) / CC BY-SA 3.0 (cropped)
- Related lab (Yamamoto Lab): “Beamline-self-portrait” Warrenmck / CC BY-SA 4.0 (cropped)
- Related lab (Bioelectronics Lab): “Wafer - 3” Windell Oskay / CC BY 2.0 (cropped)
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