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Cornell NanoScale Facility Papers, Research and Monographs
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This is a collection of papers, research and monographs for the Cornell NonScale Facility.
Recent Submissions
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Polar Effects on the Thermal Conductivity of Cubic Boron Nitride under Pressure
(American Physical Society, 2014-07-07)We report the lattice thermal conductivity (κ) of cubic boron nitride (c-BN) under pressure calculated using density functional theory. Pressure was used to manipulate the c-BN phonon dispersion and study its effect on ... -
Phonon Transport in Isotope-Disordered Carbon and Boron-Nitride Nanotubes: Is Localization Observable?
(American Physical Society, 2008-10-13)We present an ab initio study which identifies dominant effects leading to thermal conductivity reductions in carbon and boron-nitride nanotubes with isotope disorder. Our analysis reveals that, contrary to previous ... -
Thermal conduction mechanisms in boron nitride nanotubes: Few-shell versus all-shell conduction
(American Physical Society, 2008-12-29)It has been argued that the experimentally observed limitation of heat transport through boron nitride nanotubes is due to intershell scattering rather than to inefficient heat transfer to inner shells. Using an atomistic ... -
Contribution of d-band electrons to ballistic transport and scattering during electron-phonon nonequilibrium in nanoscale Au films using an ab initio density of states
(American Institute of Physics (AIP), 2009-09-08)Electron-interface scattering during electron-phonon nonequilibrium in thin films creates another pathway for electron system energy loss as characteristic lengths of thin films continue to decrease. As power densities ... -
First principles study of the phonon dispersion and dielectric properties of wurtzite InP: Role of In 4d electrons
(American Physical Society, 2014-02-13)Although wurtzite InP nanowires have recently been grown, an accurate description of the wurtzite InP phonon dispersion is still missing. We calculate the ab initio phonon dispersion of wurtzite and zinc-blende InP using ... -
Ultrafast thermoelectric properties of gold under conditions of strong electron-phonon nonequilibrium
(American Institute of Physics (AIP), 2010-11-23)The electronic scattering rates in metals after ultrashort pulsed laser heating can be drastically different than those predicted from free electron theory. The large electron temperature achieved after ultrashort pulsed ... -
Thermal conductivity of bulk and nanowire Mg2Si_{x}Sn_{1-x} alloys from first principles
(American Physical Society, 2012-11-29)The lattice thermal conductivity (κ) of the thermoelectric materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and nanowires, without adjustable parameters. We find good agreement with bulk experimental ... -
Chemical ordering in Cr3Al and relation to semiconducting behavior
(American Physical Society, 2012-08-15)Cr3Al shows semiconductor-like behavior which has been attributed to a combination of antiferromagnetism and chemical ordering of the Cr and Al atoms on the bcc sublattice. This article presents a detailed theoretical and ... -
Antiferromagnetism in Cr3Al and relation to semiconducting behavior
(American Physical Society, 2012-03-09)Antiferromagnetism and chemical ordering have both been previously suggested as causes of the observed semiconductorlike behavior in Cr3Al. Two films of Cr3Al(001)/MgO(001) were grown under different conditions to achieve ... -
Thermal conductivity of diamond nanowires from first principles
(American Physical Society, 2012-05-17)Using ab initio calculations we have investigated the thermal conductivity (k) of diamond nanowires, unveiling unusual features unique to this system. In sharp contrast with Si, k(T) of diamond nanowires as thick as 400 ...
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