98 citations · 525 across the 16 of their papers we have counts for
16 papers
Pressure-induced magnetic properties of quasi-2D Cr2Si2Te6 and Mn3Si2Te6
Rubyann Olmos, Po-Hao Chang, Prakash Mishra +5
Recently, the pressure has been used as external stimuli to induce structural and magnetic phase transitions in many layered quantum materials whose layers are linked by van der Wa…
Self-consistent implementation of locally scaled self-interaction-correction method
Yoh Yamamoto, Tunna Baruah, Po-Hao Chang +2
Recently proposed local self-interaction correction (LSIC) method [Zope, R. R. et al., J. Chem. Phys. 151, 214108 (2019)] is a one-electron self-interaction-correction (SIC) method…
A hybrid approach to basis set independent Poisson solver for an arbitrary charge distribution
Po-Hao Chang, Zachary Buschmann, Rajendra R. Zope
We review two common numerical schemes for Coulomb potential evaluation that differ only in their radial part of the solutions in the spherical harmonic expansion (SHE). One is bas…
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods
Prakash Mishra, Yoh Yamamoto, Po-Hao Chang +4
We examine the role of self-interaction errors (SIE) removal on the evaluation of magnetic exchange coupling constants. In particular we analyze the effect of scaling down the self…
Conjectured decompositions of a unitary matrix
Alexis De Vos, Martin Idel, Stijn De Baerdemacker
For any unitary matrix there exists a ZXZ decomposition, according to a theorem by Idel and Wolf. For any even-dimensional unitary matrix there exists a block-ZXZ decomposition, ac…
Spirals and skyrmions in antiferromagnetic triangular lattices
Wuzhang Fang, Aldo Raeliarijaona, Po-Hao Chang +2
We study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material rea…
Fermi surface topology and non-trivial Berry phase in the flat-band semimetal PdPb
Mojammel A. Khan, Po-Hao Chang, Nirmal Ghimire +5
A study of the Fermi surface of the putative topological semimetal PdPb has been carried out using Shubnikov-de Haas (SdH) oscillations measured in fields of up to 60 T. Pd…
Microscopic Origin of Spin-Orbit Torque in Ferromagnetic Heterostructures: A First Principles Approach
Farzad Mahfouzi, Rahul Mishra, Po-Hao Chang +2
We present an {\it ab initio}-based theoretical framework which elucidates the origin of the spin-orbit torque (SOT) in Normal-Metal(NM)/Ferromagnet(FM) heterostructures. The SOT i…
Pressure-induced high temperature superconductivity in H3X (X=As, Se, Br, Sb, Te and I)
P. -H. Chang, S. Silayi, D. A. Papaconstantopoulos +1
The discovery of high critical temperature T_{c} superconductivity in highly compressed H_{3}S has opened up the question of searching for strong electron-phonon coupling in the hy…
Origin of nonlocal resistance in multiterminal graphene on hexagonal-boron-nitride: Fermi surface edge currents rather than Fermi sea topological valley currents
J. M. Marmolejo-Tejada, J. H. García, M. Petrović +6
The recent observation [R. V. Gorbachev et al., Science {\bf 346}, 448 (2014)] of nonlocal resistance near the Dirac point (DP) of multiterminal graphene on aligned…
Proximity band structure and spin textures on both sides of topological-insulator/ferromagnetic-metal interface and their transport probes
J. M. Marmolejo-Tejada, K. Dolui, P. Lazic +5
The control of recently observed spintronic effects in topological-insulator/ferromagnetic-metal (TI/FM) heterostructures is thwarted by the lack of understanding of band structure…
Nonequilibrium spin texture within a thin layer below the surface of current-carrying topological insulator BiSe: A first-principles quantum transport study
Po-Hao Chang, Troels Markussen, Søren Smidstrup +2
We predict that unpolarized charge current injected into a ballistic thin film of prototypical topological insulator (TI) BiSe will generate a {\it noncollinear spin textur…
First-principles vs. semi-empirical modeling of global and local electronic transport properties of graphene nanopore-based sensors for DNA sequencing
Po-Hao Chang, Haiying Liu, Branislav K. Nikolic
Using first-principles quantum transport simulations, based on the nonequilibrium Green function formalism combined with density functional theory (NEGF+DFT), we examine changes in…
Giant thermoelectric effect in graphene-based topological insulators with nanopores
Po-Hao Chang, Mohammad Saeed Bahramy, Naoto Nagaosa +1
Designing thermoelectric materials with high figure of merit requires fulfilling three often irreconcilable conditions, i.e., the high electrical conductance , sm…
Spin-Seebeck effect on the surface of topological insulator due to nonequilibrium spin-polarization parallel to the direction of thermally driven electronic transport
Po-Hao Chang, Farzad Mahfouzi, Naoto Nagaosa +1
We study the transverse spin-Seebeck effect (SSE) on the surface of a three-dimensional topological insulator (TI) thin film, such as BiSe, which is sandwiched between two…
Edge currents and nanopore arrays in zigzag and chiral graphene nanoribbons as a route toward high- thermoelectrics
Po-Hao Chang, Branislav K. Nikolic
We analyze electronic and phononic quantum transport through zigzag or chiral graphene nanoribbons (GNRs) perforated with an array of nanopores. Since local charge current profiles…