English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Absent Diamond-to-β-Sn Phase Transition for Carbon: Quantum Chemical Topology Approach

Matthies, O., Grin, Y., & Kohout, M. (2017). Absent Diamond-to-β-Sn Phase Transition for Carbon: Quantum Chemical Topology Approach. ChemistrySelect, 2(25), 7659-7669. doi:10.1002/slct.201700828.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-F5A0-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-F5A8-A
Genre: Journal Article

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Matthies, Olga1, Author              
Grin, Yuri2, Author              
Kohout, Miroslav3, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              
3Miroslav Kohout, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863417              

Content

show
hide
Free keywords: -
 Abstract: Several quantum chemical topology indicators (bond paths, electron density values at bond critical points, delocalization indices, interaction energies, electron localizability indicator) are used to describe the change in the bonding situation during the pressure-induced cd -> beta-Sn phase transition for the group IV elements C, Si, Ge and Sn. To understand the absence of the cd -> beta-Sn transition for carbon, we utilize the criteria of structural stability based on the electron density and electron localizability indicator.

Details

show
hide
Language(s): eng - English
 Dates: 2017-09-012017-09-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000409870000027
DOI: 10.1002/slct.201700828
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: ChemistrySelect
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 2 (25) Sequence Number: - Start / End Page: 7659 - 7669 Identifier: Other: 2365-6549
CoNE: https://pure.mpg.de/cone/journals/resource/2365-6549