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Dynamic and structu...
Dynamic and structural stability of cubic vanadium nitride
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- Alling, Björn (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
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- Hellman, Olle (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan,CALTECH, CA 91125 USA,Linköping University,California Institute of Technology (Caltech)
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- Wireklint, Nils, 1992 (author)
- Chalmers, Sweden,Chalmers tekniska högskola,Chalmers University of Technology
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- Schlepuetz, C. M. (author)
- Argonne National Lab, IL 60439 USA,Argonne National Laboratory
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- Sangiovanni, Davide (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan,Linköping University
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- Alling, Björn (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
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- Rockett, A. (author)
- University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA
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- Hultman, Lars (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan,Linköping University
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- Petrov, Ivan (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan,University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA,Linköping University
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- Greene, Joseph E (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan,University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA,Linköping University
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(creator_code:org_t)
- American Physical Society, 2015
- 2015
- English.
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In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X .- 2469-9950 .- 2469-9969. ; 91:5, s. 054101-
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Abstract
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- Structural phase transitions in epitaxial stoichiometric VN/MgO(011) thin films are investigated using temperature-dependent synchrotron x-ray diffraction (XRD), selected-area electron diffraction (SAED), resistivity measurements, high-resolution cross-sectional transmission electron microscopy, and ab initio molecular dynamics (AIMD). At room temperature, VN has the B1 NaCl structure. However, below T-c = 250 K, XRD and SAED results reveal forbidden (00l) reflections of mixed parity associated with a noncentrosymmetric tetragonal structure. The intensities of the forbidden reflections increase with decreasing temperature following the scaling behavior I proportional to (T-c - T)(1/2). Resistivity measurements between 300 and 4 K consist of two linear regimes resulting from different electron/phonon coupling strengths in the cubic and tetragonal-VN phases. The VN transport Eliashberg spectral function alpha F-2(tr)(h omega), the product of the phonon density of states F(h omega) and the transport electron/phonon coupling strength alpha(2)(tr)(h omega), is determined and used in combination with AIMD renormalized phonon dispersion relations to show that anharmonic vibrations stabilize the NaCl structure at T greater than T-c. Free-energy contributions due to vibrational entropy, often neglected in theoretical modeling, are essential for understanding the room-temperature stability of NaCl-structure VN, and of strongly anharmonic systems in general.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Alling, Björn
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Hellman, Olle
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Wireklint, Nils, ...
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Schlepuetz, C. M ...
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Sangiovanni, Dav ...
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show more...
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Rockett, A.
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Hultman, Lars
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Petrov, Ivan
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Greene, Joseph E
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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Physical Review ...
- By the university
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Linköping University
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Chalmers University of Technology