Open AccessDiffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene
Author(s) -
Yelda Kadıoğlu,
Juan A. Santana,
H. D. Özaydın,
Fatih Ersan,
Olcay Üzengi Aktürk,
Ethem Aktürk,
Fernando A. Reboredo
Publication year - 2018
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5026120
Subject(s) - density functional theory , van der waals force , bilayer , monolayer , stacking , atom (system on chip) , diffusion monte carlo , materials science , diffusion , quantum monte carlo , binding energy , monte carlo method , molecular physics , computational chemistry , chemical physics , chemistry , crystallography , physics , nanotechnology , molecule , atomic physics , thermodynamics , membrane , monte carlo molecular modeling , mathematics , organic chemistry , markov chain monte carlo , computer science , biochemistry , statistics , embedded system