Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles

Studies on thermoelectric figure of merit of Na-doped p-type polycrystalline SnSe

(2016) Eyob K. Chere et al.   Journal of Materials Chemistry A

Large thermoelectric power factors and impact of texturing on the thermal conductivity in polycrystalline SnSe

(2016) S. R. Popuri et al.   Journal of Materials Chemistry C

Outstanding thermoelectric performances for both p - and n -type SnSe from first-principles study

(2015) Jueming Yang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Thermoelectric properties of SnSe compound

(2015) Xinhong Guan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Quasiparticle band structures and thermoelectric transport properties of p-type SnSe

(2015) Guangsha Shi et al.   JOURNAL OF APPLIED PHYSICS

Thermoelectric properties of single-layered SnSe sheet

(2015) Fancy Qian Wang et al.   Nanoscale

Achieving optimum carrier concentrations in p-doped SnS thermoelectrics

(2015) Sandip Bhattacharya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal conductivity in PbTe from first principles

(2015) A. H. Romero et al.   PHYSICAL REVIEW B

First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS

(2015) Ruiqiang Guo et al.   PHYSICAL REVIEW B

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

(2015) L.-D. Zhao et al.   SCIENCE

Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

(2015) Do Duc Cuong et al.   AIP Advances

Optimizing the thermoelectric performance of low-temperature SnSe compounds by electronic structure design

(2015) A. J. Hong et al.   Journal of Materials Chemistry A

Thermoelectric performance of SnS and SnS–SnSe solid solution

(2015) Ye-Mao Han et al.   Journal of Materials Chemistry A

Low thermal conductivity and triaxial phononic anisotropy of SnSe

(2014) Jesús Carrete et al.   APPLIED PHYSICS LETTERS

Assessment of the thermoelectric performance of polycrystalline p-type SnSe

(2014) S. Sassi et al.   APPLIED PHYSICS LETTERS

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Integrated computational materials discovery of silver doped tin sulfide as a thermoelectric material

(2014) Chandan Bera et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Resonant bonding leads to low lattice thermal conductivity

(2014) Sangyeop Lee et al.   Nature Communications

Temperature dependence of TiN elastic constants fromab initiomolecular dynamics simulations

(2013) Peter Steneteg et al.   PHYSICAL REVIEW B

Temperature dependent effective potential method for accurate free energy calculations of solids

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Atomistic simulations of pressure-induced structural transformations in solids

(2011) R. Martoňák   EUROPEAN PHYSICAL JOURNAL B

Structural phase transition of SnSe under uniaxial stress and hydrostatic pressure: an ab initio study

(2011) Sebahaddin Alptekin   JOURNAL OF MOLECULAR MODELING

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Implementing and testing the AM05 spin density functional

(2009) Ann E. Mattsson et al.   PHYSICAL REVIEW B

Assessing the performance of recent density functionals for bulk solids

(2009) Gábor I. Csonka et al.   PHYSICAL REVIEW B

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS