QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: issac7 on October 17, 2023, 08:39

Title: SK TB models
Post by: issac7 on October 17, 2023, 08:39

Dear sir,
      Can i perform a next-nearest-neighbor or third-nearest-neighbor hopping calculation by specifying the hopping energy v.s. distance in Slater-Koster tight-binding models using ATK? Or it is just limited to the nearest form in Slater-Koster Table?
      Looking forward to ur reply.

Best,
issac7

Title: Re: SK TB models
Post by: Anders Blom on October 24, 2023, 01:44

You can have any dependence of the matrix elements as function of distance, see the examples in https://docs.quantumatk.com/manual/Types/SlaterKosterCalculator/SlaterKosterCalculator.html#usage-examples