The Electronic, Optical, and Thermoelectric Properties of Monolayer PbTe and the Tunability of the Electronic Structure by External Fields and Defects

Dirac half-metallicity of Thin PdCl3 Nanosheets: Investigation of the Effects of External Fields, Surface Adsorption and Defect Engineering on the Electronic and Magnetic Properties

(2020) Asadollah Bafekry et al.   Scientific Reports

C3N monolayer with substitutional doping and strain modulation serving as anode material of lithium-ion batteries

(2020) Wei Nong et al.   APPLIED SURFACE SCIENCE

ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities

(2020) Bohayra Mortazavi et al.   Materials Today Energy

Two-dimensional black arsenic for Li-ion battery applications: a DFT study

(2019) B. Akgenc   JOURNAL OF MATERIALS SCIENCE

C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain

(2019) Asadollah Bafekry et al.   Journal of Physical Chemistry C

Electronic and Optical Properties of Two-Dimensional Tellurene: From First-Principles Calculations

(2019) David K. Sang et al.   Nanomaterials

Exploiting the Novel Electronic and Magnetic Structure of C 3 N via Functionalization and Conformation

(2019) A. Bafekry et al.   Advanced Electronic Materials

Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures

(2019) A. Bafekry et al.   APPLIED SURFACE SCIENCE

Adsorption of molecules on C3N nanosheet: A first-principles calculations

(2019) A. Bafekry et al.   CHEMICAL PHYSICS

Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption

(2019) Asadollah Bafekry et al.   JOURNAL OF APPLIED PHYSICS

Controlling electronic structure of single-layered $${\hbox {HfX}}_{3}$$ HfX 3 ( $$\hbox {X=S}$$ X=S , Se) trichalcogenides through systematic Zr doping

(2019) Itsuki Miyazato et al.   JOURNAL OF MATERIALS SCIENCE

A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet

(2019) Asadollah Bafekry et al.   CARBON

A First‐Principles Study of C 3 N Nanostructures: Control and Engineering of the Electronic and Magnetic Properties of Nanosheets, Tubes and Ribbons

(2019) Asadollah Bafekry et al.   CHEMPHYSCHEM

Intriguing of two-dimensional Janus surface-functionalized MXenes: An ab initio calculation

(2019) Berna Akgenc   COMPUTATIONAL MATERIALS SCIENCE

Two-dimensional carbon nitride (2DCN) nanosheets: Tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering

(2019) Asadollah Bafekry et al.   JOURNAL OF APPLIED PHYSICS

Band gap and magnetism engineering in Dirac half-metallic Na2C nanosheet via layer thickness, strain and point defects

(2019) A. Bafekry et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

New predicted two-dimensional MXenes and their structural, electronic and lattice dynamical properties

(2019) Berna Akgenc   SOLID STATE COMMUNICATIONS

Graphene-like BC6N single-layer: Tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule

(2019) A. Bafekry   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Antimonene/bismuthene vertical Van-der Waals heterostructure: A computational study

(2019) Shobair Mohammadi Mozvashi et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

First – principles calculations on stability and mechanical properties of various ABO 3 and their alloys

(2018) B. Akgenc et al.   MATERIALS CHEMISTRY AND PHYSICS

Influence of chalcogen composition on the structural transition and on the electronic and optical properties of the monolayer titanium trichalcogenide ordered alloys

(2018) F. Ersan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning electronic and magnetic properties of monolayer α-RuCl3 by in-plane strain

(2018) F. Iyikanat et al.   Journal of Materials Chemistry C

Silicon-based chalcogenide: Unexpected quantum spin Hall insulator with sizable band gap

(2016) Run-wu Zhang et al.   APPLIED PHYSICS LETTERS

A new topological crystalline insulator in two-dimensional PbPo with tunable large bulk gaps

(2016) Ya-ping Wang et al.   Journal of Materials Chemistry C

New family of room temperature quantum spin Hall insulators in two-dimensional germanene films

(2016) Run-wu Zhang et al.   Journal of Materials Chemistry C

Room Temperature Quantum Spin Hall Insulator in Ethynyl-Derivative Functionalized Stanene Films

(2016) Run-wu Zhang et al.   Scientific Reports

Crystal Field Effect Induced Topological Crystalline Insulators In Monolayer IV–VI Semiconductors

(2015) Junwei Liu et al.   NANO LETTERS

Rippling, buckling, and melting of single- and multilayerMoS2

(2015) Sandeep Kumar Singh et al.   PHYSICAL REVIEW B

Dirac Line Nodes in Inversion-Symmetric Crystals

(2015) Youngkuk Kim et al.   PHYSICAL REVIEW LETTERS

Topological Crystalline Insulators and Topological Superconductors: From Concepts to Materials

(2015) Yoichi Ando et al.   Annual Review of Condensed Matter Physics

High carrier mobility of few-layer PbX (X = S, Se, Te)

(2015) Xi-Bo Li et al.   Journal of Materials Chemistry C

Exploration and prediction of topological electronic materials based on first-principles calculations

(2014) Hongming Weng et al.   MRS BULLETIN

Synthesis of SnTe Nanoplates with {100} and {111} Surfaces

(2014) Jie Shen et al.   NANO LETTERS

A stable three-dimensional topological Dirac semimetal Cd 3 As 2

(2014) Z. K. Liu et al.   NATURE MATERIALS

Two types of Dirac-cone surface states on the (111) surface of the topological crystalline insulator SnTe

(2014) Y. Tanaka et al.   PHYSICAL REVIEW B

Observation of topological crystalline insulator surface states on (111)-oriented Pb1−xSnxSe films

(2014) C. M. Polley et al.   PHYSICAL REVIEW B

Valleytronics on the surface of a topological crystalline insulator: Elliptic dichroism and valley-selective optical pumping

(2014) Motohiko Ezawa   PHYSICAL REVIEW B

Topological phase transition in a topological crystalline insulator induced by finite-size effects

(2014) Hideyuki Ozawa et al.   PHYSICAL REVIEW B

Symmetry breaking and Landau quantization in topological crystalline insulators

(2014) Maksym Serbyn et al.   PHYSICAL REVIEW B

Experimental Observation of Dirac-like Surface States and Topological Phase Transition inPb1−xSnxTe(111)Films

(2014) Chenhui Yan et al.   PHYSICAL REVIEW LETTERS

Discovery of a Three-Dimensional Topological Dirac Semimetal, Na3Bi

(2014) Z. K. Liu et al.   SCIENCE

Boron Nitride Monolayer: A Strain-Tunable Nanosensor

(2013) M. Neek-Amal et al.   Journal of Physical Chemistry C

Spin-filtered edge states with an electrically tunable gap in a two-dimensional topological crystalline insulator

(2013) Junwei Liu et al.   NATURE MATERIALS

Nontrivial spin texture of the coaxial Dirac cones on the surface of topological crystalline insulator SnTe

(2013) Yung Jui Wang et al.   PHYSICAL REVIEW B

Two types of surface states in topological crystalline insulators

(2013) Junwei Liu et al.   PHYSICAL REVIEW B

Topological crystalline insulator (Pb,Sn)Te: Surface states and their spin polarization

(2013) S. Safaei et al.   PHYSICAL REVIEW B

Observation of Dirac Node Formation and Mass Acquisition in a Topological Crystalline Insulator

(2013) Y. Okada et al.   SCIENCE

Topological crystalline insulator states in Pb1−xSn x Se

(2012) P. Dziawa et al.   NATURE MATERIALS

Experimental realization of a topological crystalline insulator in SnTe

(2012) Y. Tanaka et al.   Nature Physics

Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons

(2012) J. Beheshtian et al.   PHYSICAL REVIEW B

Topological crystalline insulators in the SnTe material class

(2012) Timothy H. Hsieh et al.   Nature Communications

Observation of a topological crystalline insulator phase and topological phase transition in Pb1−xSn x Te

(2012) Su-Yang Xu et al.   Nature Communications

The electronic and magnetic properties of functionalized silicene: a first-principles study

(2012) Fu-bao Zheng et al.   Nanoscale Research Letters

Topological nodal semimetals

(2011) A. A. Burkov et al.   PHYSICAL REVIEW B

Topological Crystalline Insulators

(2011) Liang Fu   PHYSICAL REVIEW LETTERS

Chern Semimetal and the Quantized Anomalous Hall Effect inHgCr2Se4

(2011) Gang Xu et al.   PHYSICAL REVIEW LETTERS

Evidence for Helical Edge Modes in InvertedInAs/GaSbQuantum Wells

(2011) Ivan Knez et al.   PHYSICAL REVIEW LETTERS

Topological insulators and superconductors

(2011) Xiao-Liang Qi et al.   REVIEWS OF MODERN PHYSICS

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quasiparticle self-consistentGWcalculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients

(2010) A. Svane et al.   PHYSICAL REVIEW B

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Colloquium: Topological insulators

(2010) M. Z. Hasan et al.   REVIEWS OF MODERN PHYSICS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS