Showing 1–20 of 40 results
/ Date/ Name
Oct 28, 2015Structure of self-assembled Mn atom chains on Si(001)Feb 7, 2024Ab initio study of subsurface diffusion of Cu on the H-passivated Si(001) surfaceMay 18, 2022The CONQUEST code: large scale and linear scaling DFTMar 1, 2013Density-functional theory study of gramicidin A ion channel geometry and electronic propertiesFeb 17, 2021A re-examination of antiferroelectric PbZrO$_3$ and PbHfO$_3$: an 80-atom $Pnam$ structureOct 30, 2002Diffusion of a polaron in dangling bond wires on Si(001)Oct 31, 2005Self-assembled nanowires on semiconductor surfacesSep 14, 2016Local resilience of the $1T$-TiSe$_2$ charge density wave to Ti self-dopingMay 24, 2000Small polaron formation in dangling-bond wires on the Si(001) surfaceAug 30, 2011O(N) methods in electronic structure calculationsJul 13, 2010One dimensional Si-in-Si(001) template for single-atom wire growthNov 18, 2009Calculations on millions of atoms with DFT: Linear scaling shows its potentialOct 15, 2002Tight binding studies of strained Ge/Si(001) growthOct 5, 1998Density matrices in O(N) electronic structure calculations: theory and applicationsFeb 22, 2015STM microscopy of the CDW in 1T-TiSe2 in the presence of single atom defectsDec 5, 2018Semimetal-to-semiconductor transition and charge-density-wave melting in $1T$-TiSe$_{2-x}$S$_x$ single crystalsMar 4, 2024Polarity vs Chirality: Functionality from competing magneto-structural instabilitiesNov 16, 2000Parallel Sparse Matrix Multiplication for Linear Scaling Electronic Structure CalculationsMar 27, 2002A first principles study of sub-monolayer Ge on Si(001)Oct 18, 2002Formation of clean dimers during gas-source growth of Si(001)