Lone pair electrons minimize lattice thermal conductivity

Energy and Environmental Science

Volumn 6, Issue 2, 2013, Pages 570-578

  Nielsen, Michele D ^a   Ozolins, Vidvuds ^b   Heremans, Joseph P ^a,c  

^a Ohio State University   (United States)

^b University of California   (United States)

^c OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTAL LATTICES; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY;

ANHARMONIC; DIFFERENT STRUCTURE; IMPROVING EFFICIENCY; LATTICE INSTABILITY; LATTICE THERMAL CONDUCTIVITY; LONE PAIR ELECTRONS; ORBITALS; PHONON-PHONON INTERACTIONS; PREDICTIVE TOOLS; ROCK-SALT STRUCTURE; SOFT-PHONON MODE; THERMAL PROCESS;

PHONONS;

ELECTRON; HEAT TRANSFER; ROCK SALT; THERMAL CONDUCTIVITY;

EID: 84873135778     PISSN: 17545692     EISSN: 17545706     Source Type: Journal    
DOI: 10.1039/c2ee23391f     Document Type: Article

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