2002
DOI: 10.1002/1521-3951(200202)229:3<1353::aid-pssb1353>3.0.co;2-o
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Electronic Properties and Chemical Bonding of Orthorhombic Chromium Carbide

Abstract: Subject classification: 71.20.Lp; S1.61The electronic properties of an orthorhombic phase of chromium carbide are calculated by the extended Hü ckel tight-binding method. We found in this phase similar trends in band structure and total and p-d orbital projected DOS with respect to other crystalline phases calculated previously. The bonding nature is analyzed in terms of the crystal orbital overlap population (COOP). The results show a high degree of metal-non-metal hybridized states contributing to the metall… Show more

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“…The electronic structures of metal carbides such as titanium carbide, chromium carbide are quite complex. For example, chemical bonding in chromium carbides has a complex mixture of metallic, covalent, and ionic characters, and this means both electrons and phonons could participate in the heat transfer process [74][75][76]. Hence, what matters is the variety of particles that contribute to the thermal transport process across the interface and to quantify and formulate the process.…”
Section: Thermal Boundary Conductancementioning
confidence: 99%
“…The electronic structures of metal carbides such as titanium carbide, chromium carbide are quite complex. For example, chemical bonding in chromium carbides has a complex mixture of metallic, covalent, and ionic characters, and this means both electrons and phonons could participate in the heat transfer process [74][75][76]. Hence, what matters is the variety of particles that contribute to the thermal transport process across the interface and to quantify and formulate the process.…”
Section: Thermal Boundary Conductancementioning
confidence: 99%