Abstract: In high-tech fields such as electronics, the development of new high performance materials which differ from conventional materials has received much attention. An object of the present invention is to provide a clathrate compound which can be used as a thermoelectric material, a hard material, or a semiconductor material. Atoms of an element from group 4B of the periodic table are formed into a clathrate lattice, and a clathrate compound is then formed in which specified doping atoms are encapsulated within the clathrate lattice, and a portion of the atoms of the clathrate lattice are substituted with specified substitution atoms. Suitable doping atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 4A, group 5A, group 6A, and group 8, and suitable substitution atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 5A, group 6A, group 7A, group 5B, group 6B, group 7B, and group 8 of the periodic table.

Abstract: In high-tech fields such as electronics, the development of new high performance materials which differ from conventional materials has received much attention. An object of the present invention is to provide a clathrate compound which can be used as a thermoelectric material, a hard material, or a semiconductor material. Atoms of an element from group 4B of the periodic table are formed into a clathrate lattice, and a clathrate compound is then formed in which specified doping atoms are encapsulated within the clathrate lattice, and a portion of the atoms of the clathrate lattice are substituted with specified substitution atoms. Suitable doping atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 4A, group 5A, group 6A, and group 8, and suitable substitution atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 5A, group 6A, group 7A, group 5B, group 6B, group 7B, and group 8 of the periodic table.

Abstract: The present invention provides a clathrate compound which can be used as a thermoelectric material, a hard material, or a semiconductor material. Silicon or carbon are formed into a clathrate lattice, and a clathrate compound is then formed in which specified doping atoms are encapsulated within the clathrate lattice, and a portion of the atoms of the clathrate lattice are substituted with specified substitution atoms. The clathrate lattice is, for example, a silicon clathrate 34 (Si34) mixed lattice of a Si20 cluster including a dodecahedron of Si atoms, and a Si28 cluster including a hexahedron of Si atoms. Suitable doping atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 4A, group 5A, group 6A, and group 8, and suitable substitution atoms are atoms from group 1A, group 2A, group 3A, group 1B, group 2B, group 3B, group 5A, group 6A, group 7A, group 5B, group 6B, group 7B, and group 8 of the periodic table.